N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide

C12H25N3O3S — CID 54870016

IUPACN-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)CCCCCN)CC1
InChIInChI=1S/C12H25N3O3S/c1-19(17,18)14-11-6-9-15(10-7-11)12(16)5-3-2-4-8-13/h11,14H,2-10,13H2,1H3
InChIKeyASMVTQYYMVXSCZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.05
Rot. Bonds7

About N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide

N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide (PubChem CID 54870016) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide
PubChem CID54870016
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)CCCCCN)CC1
InChIInChI=1S/C12H25N3O3S/c1-19(17,18)14-11-6-9-15(10-7-11)12(16)5-3-2-4-8-13/h11,14H,2-10,13H2,1H3
InChIKeyASMVTQYYMVXSCZ-UHFFFAOYSA-N
XLogP0.05
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.05
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

N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 65290824
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947434
methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate
CID 110819832
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
CID 119806012
6-amino-1-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43133252
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide
CID 103155078
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one
CID 170126914
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide
CID 115448014
7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one
CID 55157660

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide (CID 54870016) is N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)CCCCCN)CC1.
What is the InChIKey of N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is ASMVTQYYMVXSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-19(17,18)14-11-6-9-15(10-7-11)12(16)5-3-2-4-8-13/h11,14H,2-10,13H2,1H3.
What are the key properties of N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide?
N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 291.42 g/mol, XLogP of 0.05, 7 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-4-yl]methanesulfonamide is sourced from PubChem (CID 54870016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).