3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide

C16H31N3O3S — CID 120584411

IUPAC3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H31N3O3S/c17-10-9-16(20)18-12-15-8-4-5-11-19(15)23(21,22)13-14-6-2-1-3-7-14/h14-15H,1-13,17H2,(H,18,20)
InChIKeyBCPWIQYTNZPJFS-UHFFFAOYSA-N
MW345.51 g/mol
LogP1.22
Rot. Bonds7

About 3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120584411) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is 3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide
PubChem CID120584411
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC Name3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H31N3O3S/c17-10-9-16(20)18-12-15-8-4-5-11-19(15)23(21,22)13-14-6-2-1-3-7-14/h14-15H,1-13,17H2,(H,18,20)
InChIKeyBCPWIQYTNZPJFS-UHFFFAOYSA-N
XLogP1.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]propanamide
CID 120584541
3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide
CID 120584445
3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584763
3-amino-N-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584695
3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581306
3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584768
3-amino-N-[[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584439
3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584507
3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584705
3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099
N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 63880164
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide (CID 120584411) is 3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is BCPWIQYTNZPJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c17-10-9-16(20)18-12-15-8-4-5-11-19(15)23(21,22)13-14-6-2-1-3-7-14/h14-15H,1-13,17H2,(H,18,20).
What are the key properties of 3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 345.51 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120584411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).