N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide

C14H28N2O3S — CID 20630938

IUPACN-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)NC1CCCCC1
InChIInChI=1S/C14H28N2O3S/c1-12(2)20(18,19)15-11-7-6-10-14(17)16-13-8-4-3-5-9-13/h12-13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyMBWRDJKTYLYVJS-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.93
Rot. Bonds8

About N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide

N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 20630938) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID20630938
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)NC1CCCCC1
InChIInChI=1S/C14H28N2O3S/c1-12(2)20(18,19)15-11-7-6-10-14(17)16-13-8-4-3-5-9-13/h12-13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyMBWRDJKTYLYVJS-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236575
N-cyclohexyl-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236558
N-cyclohexyl-2-(methylsulfonyl)acetamide
CID 2806038
N-cyclohexyl-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 3237439
N-(1-propan-2-ylsulfonylpiperidin-4-yl)propanamide
CID 44313539
N-(1-propan-2-ylsulfonylpiperidin-4-yl)acetamide
CID 44313540
Cambridge id 5119372
CID 2828754
4-(Cyclohexylamino)-4-oxobutane-2-sulfinic acid
CID 2828755
N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 4526044
N-(Butan-2-YL)-1-(propane-1-sulfonyl)piperidine-3-carboxamide
CID 5065434
1-(butylsulfonyl)-N-cyclohexyl-3-piperidinecarboxamide
CID 6471541
(3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 95118722

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide (CID 20630938) is N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide is CC(C)S(=O)(=O)NCCCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is MBWRDJKTYLYVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12(2)20(18,19)15-11-7-6-10-14(17)16-13-8-4-3-5-9-13/h12-13,15H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide?
N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 304.46 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 20630938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).