N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride

C8H15ClN4O2S — CID 120721030

IUPACN-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCNC1)c1cnc[nH]1
InChIInChI=1S/C8H14N4O2S.ClH/c13-15(14,8-5-10-6-11-8)12-4-7-1-2-9-3-7;/h5-7,9,12H,1-4H2,(H,10,11);1H
InChIKeyJVGSOHDUBMNRAS-UHFFFAOYSA-N
MW266.75 g/mol
LogP-0.28
Rot. Bonds4

About N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride

N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride (PubChem CID 120721030) has the molecular formula C8H15ClN4O2S and a molecular weight of 266.75 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride
PubChem CID120721030
Molecular FormulaC8H15ClN4O2S
Molecular Weight266.75 g/mol
Exact Mass266.06
IUPAC NameN-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCNC1)c1cnc[nH]1
InChIInChI=1S/C8H14N4O2S.ClH/c13-15(14,8-5-10-6-11-8)12-4-7-1-2-9-3-7;/h5-7,9,12H,1-4H2,(H,10,11);1H
InChIKeyJVGSOHDUBMNRAS-UHFFFAOYSA-N
XLogP-0.28
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(pyrrolidin-3-ylmethyl)pyridine-3-sulfonamide
CID 80563217
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CID 120720909
N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide
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4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97052749
N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721010
N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106631158
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720902

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride (CID 120721030) is N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride is Cl.O=S(=O)(NCC1CCNC1)c1cnc[nH]1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride?
The InChIKey is JVGSOHDUBMNRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S.ClH/c13-15(14,8-5-10-6-11-8)12-4-7-1-2-9-3-7;/h5-7,9,12H,1-4H2,(H,10,11);1H.
What are the key properties of N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride?
N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride has a molecular weight of 266.75 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120721030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).