N-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide

C18H36N2O3S — CID 15735163

IUPACN-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@H](CC(=O)[C@@H](N)CC1CCCCC1)C(C)C
InChIInChI=1S/C18H36N2O3S/c1-4-10-24(22,23)20-13-16(14(2)3)12-18(21)17(19)11-15-8-6-5-7-9-15/h14-17,20H,4-13,19H2,1-3H3/t16-,17+/m1/s1
InChIKeyYAXUHCGQJULTNN-SJORKVTESA-N
MW360.56 g/mol
LogP2.84
Rot. Bonds11

About N-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide

N-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide (PubChem CID 15735163) has the molecular formula C18H36N2O3S and a molecular weight of 360.56 g/mol. Its IUPAC name is N-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide
PubChem CID15735163
Molecular FormulaC18H36N2O3S
Molecular Weight360.56 g/mol
Exact Mass360.24
IUPAC NameN-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@H](CC(=O)[C@@H](N)CC1CCCCC1)C(C)C
InChIInChI=1S/C18H36N2O3S/c1-4-10-24(22,23)20-13-16(14(2)3)12-18(21)17(19)11-15-8-6-5-7-9-15/h14-17,20H,4-13,19H2,1-3H3/t16-,17+/m1/s1
InChIKeyYAXUHCGQJULTNN-SJORKVTESA-N
XLogP2.84
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.56
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide?
The IUPAC name of N-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide (CID 15735163) is N-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide is CCCS(=O)(=O)NC[C@@H](CC(=O)[C@@H](N)CC1CCCCC1)C(C)C.
What is the InChIKey of N-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide?
The InChIKey is YAXUHCGQJULTNN-SJORKVTESA-N. The full InChI is InChI=1S/C18H36N2O3S/c1-4-10-24(22,23)20-13-16(14(2)3)12-18(21)17(19)11-15-8-6-5-7-9-15/h14-17,20H,4-13,19H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of N-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide?
N-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide has a molecular weight of 360.56 g/mol, XLogP of 2.84, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,5S)-5-amino-6-cyclohexyl-4-oxo-2-propan-2-ylhexyl]propane-1-sulfonamide is sourced from PubChem (CID 15735163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).