4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide

C16H25N3O3S — CID 119310285

IUPAC4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide
SMILESNCCCC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H25N3O3S/c17-10-4-7-16(20)18-13-14-8-11-19(12-9-14)23(21,22)15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13,17H2,(H,18,20)
InChIKeyWIEKNLTYIMEPCT-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.94
Rot. Bonds7

About 4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide

4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide (PubChem CID 119310285) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide
PubChem CID119310285
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide
SMILESNCCCC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H25N3O3S/c17-10-4-7-16(20)18-13-14-8-11-19(12-9-14)23(21,22)15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13,17H2,(H,18,20)
InChIKeyWIEKNLTYIMEPCT-UHFFFAOYSA-N
XLogP0.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
CID 60604892
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide
CID 47086847
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 60604909
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001489
3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584763
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71935195
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
CID 90521514
7-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]heptan-1-one
CID 119678275
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine
CID 110930259
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119938215
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111091360

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide (CID 119310285) is 4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide is NCCCC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide?
The InChIKey is WIEKNLTYIMEPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c17-10-4-7-16(20)18-13-14-8-11-19(12-9-14)23(21,22)15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13,17H2,(H,18,20).
What are the key properties of 4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide?
4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide has a molecular weight of 339.46 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 119310285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).