N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride

C15H30ClN3O2S — CID 119987691

IUPACN-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCC1CCCCN1S(=O)(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C15H29N3O2S.ClH/c1-13-4-2-3-9-18(13)21(19,20)17-10-7-15(8-11-17)16-12-14-5-6-14;/h13-16H,2-12H2,1H3;1H
InChIKeyGVHUNICYPIHXGL-UHFFFAOYSA-N
MW351.94 g/mol
LogP1.99
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride

N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119987691) has the molecular formula C15H30ClN3O2S and a molecular weight of 351.94 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119987691
Molecular FormulaC15H30ClN3O2S
Molecular Weight351.94 g/mol
Exact Mass351.17
IUPAC NameN-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCC1CCCCN1S(=O)(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C15H29N3O2S.ClH/c1-13-4-2-3-9-18(13)21(19,20)17-10-7-15(8-11-17)16-12-14-5-6-14;/h13-16H,2-12H2,1H3;1H
InChIKeyGVHUNICYPIHXGL-UHFFFAOYSA-N
XLogP1.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.94
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
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N-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
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N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 62069812
[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
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CID 47319363
N-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714929
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile
CID 62075705
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011
4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine
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1-methyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,4-diazepane
CID 94021502
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CID 39699146

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride (CID 119987691) is N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride is CC1CCCCN1S(=O)(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is GVHUNICYPIHXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S.ClH/c1-13-4-2-3-9-18(13)21(19,20)17-10-7-15(8-11-17)16-12-14-5-6-14;/h13-16H,2-12H2,1H3;1H.
What are the key properties of N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride?
N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 351.94 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119987691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).