N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride

C16H30ClN5O2S — CID 154753859

IUPACN-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCN(Cc1nccn1C)C1CC12CCNCC2.Cl
InChIInChI=1S/C16H29N5O2S.ClH/c1-3-24(22,23)19-9-11-21(13-15-18-8-10-20(15)2)14-12-16(14)4-6-17-7-5-16;/h8,10,14,17,19H,3-7,9,11-13H2,1-2H3;1H
InChIKeyBMTWYZQWAUKIPN-UHFFFAOYSA-N
MW391.97 g/mol
LogP0.73
Rot. Bonds8

About N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride

N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride (PubChem CID 154753859) has the molecular formula C16H30ClN5O2S and a molecular weight of 391.97 g/mol. Its IUPAC name is N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride
PubChem CID154753859
Molecular FormulaC16H30ClN5O2S
Molecular Weight391.97 g/mol
Exact Mass391.18
IUPAC NameN-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCN(Cc1nccn1C)C1CC12CCNCC2.Cl
InChIInChI=1S/C16H29N5O2S.ClH/c1-3-24(22,23)19-9-11-21(13-15-18-8-10-20(15)2)14-12-16(14)4-6-17-7-5-16;/h8,10,14,17,19H,3-7,9,11-13H2,1-2H3;1H
InChIKeyBMTWYZQWAUKIPN-UHFFFAOYSA-N
XLogP0.73
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120967056
(2S)-N-[(1-methylimidazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)-6-azaspiro[2.5]octan-2-amine
CID 129352549
N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 154793432
3-[[(2R)-6-azaspiro[2.5]octan-2-yl]-[(1-ethylimidazol-2-yl)methyl]amino]-N-methylpropane-1-sulfonamide
CID 129324449
N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 128991950
N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120845248
N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120845200
(2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 129476402
methyl 4-[6-azaspiro[2.5]octan-2-yl-[(1-ethylimidazol-2-yl)methyl]amino]-2,2-dimethylbutanoate;hydrochloride
CID 120845299
N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845181
N-[(2,3-dichloro-4-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120845220
(2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 129465993

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride (CID 154753859) is N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride is CCS(=O)(=O)NCCN(Cc1nccn1C)C1CC12CCNCC2.Cl.
What is the InChIKey of N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride?
The InChIKey is BMTWYZQWAUKIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2S.ClH/c1-3-24(22,23)19-9-11-21(13-15-18-8-10-20(15)2)14-12-16(14)4-6-17-7-5-16;/h8,10,14,17,19H,3-7,9,11-13H2,1-2H3;1H.
What are the key properties of N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride?
N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride has a molecular weight of 391.97 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 154753859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).