N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide

C13H27N3O3S — CID 60944857

IUPACN-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)CCCCCN
InChIInChI=1S/C13H27N3O3S/c1-20(18,19)15-11-12-7-4-6-10-16(12)13(17)8-3-2-5-9-14/h12,15H,2-11,14H2,1H3
InChIKeyBXFQHPJAOFDCPC-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.44
Rot. Bonds8

About N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 60944857) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID60944857
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)CCCCCN
InChIInChI=1S/C13H27N3O3S/c1-20(18,19)15-11-12-7-4-6-10-16(12)13(17)8-3-2-5-9-14/h12,15H,2-11,14H2,1H3
InChIKeyBXFQHPJAOFDCPC-UHFFFAOYSA-N
XLogP0.44
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43579311
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 53399018
N-[[1-(5-amino-2-methylpentanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 104684436
[1-(4-aminobutanoyl)piperidin-2-yl]methylurea
CID 119313337
2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 61329043
N-[[1-(3-aminobutanoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722459
N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide
CID 132968697
N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 120609023
2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride
CID 19778254
7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one
CID 62889816
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide (CID 60944857) is N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCN1C(=O)CCCCCN.
What is the InChIKey of N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is BXFQHPJAOFDCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-20(18,19)15-11-12-7-4-6-10-16(12)13(17)8-3-2-5-9-14/h12,15H,2-11,14H2,1H3.
What are the key properties of N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 60944857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).