N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide

C14H27N3O3S — CID 64824182

IUPACN-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)C1CCCCC1N
InChIInChI=1S/C14H27N3O3S/c1-21(19,20)16-10-11-6-4-5-9-17(11)14(18)12-7-2-3-8-13(12)15/h11-13,16H,2-10,15H2,1H3
InChIKeyAORXMQMEDKPQBH-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.43
Rot. Bonds4

About N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 64824182) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID64824182
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)C1CCCCC1N
InChIInChI=1S/C14H27N3O3S/c1-21(19,20)16-10-11-6-4-5-9-17(11)14(18)12-7-2-3-8-13(12)15/h11-13,16H,2-10,15H2,1H3
InChIKeyAORXMQMEDKPQBH-UHFFFAOYSA-N
XLogP0.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-aminocyclopentyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634506
N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 79388933
(2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107218042
methyl 2-[1-(2-aminocyclopentanecarbonyl)piperidin-2-yl]acetate
CID 64823425
(2R)-N-ethyl-2-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 95160650
N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide
CID 132968697
N-[[1-[4-(aminomethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119288822
N-[[1-(3-aminobutanoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722459
[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea
CID 43073423
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
(2-aminocyclohexyl)-(2-methylpiperidin-1-yl)methanone
CID 62775944
N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 103795207

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide (CID 64824182) is N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCN1C(=O)C1CCCCC1N.
What is the InChIKey of N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is AORXMQMEDKPQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-21(19,20)16-10-11-6-4-5-9-17(11)14(18)12-7-2-3-8-13(12)15/h11-13,16H,2-10,15H2,1H3.
What are the key properties of N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 317.46 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 64824182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).