N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride

C15H30ClN3O3S — CID 119732732

IUPACN-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NC1CCN(C(=O)C2CCCC(N)C2)CC1.Cl
InChIInChI=1S/C15H29N3O3S.ClH/c1-2-10-22(20,21)17-14-6-8-18(9-7-14)15(19)12-4-3-5-13(16)11-12;/h12-14,17H,2-11,16H2,1H3;1H
InChIKeyAEEGCNZWCRSBPG-UHFFFAOYSA-N
MW367.94 g/mol
LogP1.25
Rot. Bonds5

About N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride

N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride (PubChem CID 119732732) has the molecular formula C15H30ClN3O3S and a molecular weight of 367.94 g/mol. Its IUPAC name is N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
PubChem CID119732732
Molecular FormulaC15H30ClN3O3S
Molecular Weight367.94 g/mol
Exact Mass367.17
IUPAC NameN-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NC1CCN(C(=O)C2CCCC(N)C2)CC1.Cl
InChIInChI=1S/C15H29N3O3S.ClH/c1-2-10-22(20,21)17-14-6-8-18(9-7-14)15(19)12-4-3-5-13(16)11-12;/h12-14,17H,2-11,16H2,1H3;1H
InChIKeyAEEGCNZWCRSBPG-UHFFFAOYSA-N
XLogP1.25
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.94
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(piperidine-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 119294516
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 119732695
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate
CID 55147306
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
(3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119766741
(3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119851832
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride?
The IUPAC name of N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride (CID 119732732) is N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride is CCCS(=O)(=O)NC1CCN(C(=O)C2CCCC(N)C2)CC1.Cl.
What is the InChIKey of N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride?
The InChIKey is AEEGCNZWCRSBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S.ClH/c1-2-10-22(20,21)17-14-6-8-18(9-7-14)15(19)12-4-3-5-13(16)11-12;/h12-14,17H,2-11,16H2,1H3;1H.
What are the key properties of N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride?
N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride has a molecular weight of 367.94 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119732732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).