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

C18H38N2O2S — CID 57146503

IUPACN-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@H](CC[C@H](N)CC1CCCCC1)C(C)C
InChIInChI=1S/C18H38N2O2S/c1-4-12-23(21,22)20-14-17(15(2)3)10-11-18(19)13-16-8-6-5-7-9-16/h15-18,20H,4-14,19H2,1-3H3/t17-,18+/m1/s1
InChIKeyZJSUPCPAORPNES-MSOLQXFVSA-N
MW346.58 g/mol
LogP3.67
Rot. Bonds11

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

N-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide (PubChem CID 57146503) has the molecular formula C18H38N2O2S and a molecular weight of 346.58 g/mol. Its IUPAC name is N-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide
PubChem CID57146503
Molecular FormulaC18H38N2O2S
Molecular Weight346.58 g/mol
Exact Mass346.27
IUPAC NameN-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@H](CC[C@H](N)CC1CCCCC1)C(C)C
InChIInChI=1S/C18H38N2O2S/c1-4-12-23(21,22)20-14-17(15(2)3)10-11-18(19)13-16-8-6-5-7-9-16/h15-18,20H,4-14,19H2,1-3H3/t17-,18+/m1/s1
InChIKeyZJSUPCPAORPNES-MSOLQXFVSA-N
XLogP3.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide?
The IUPAC name of N-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide (CID 57146503) is N-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide is CCCS(=O)(=O)NC[C@@H](CC[C@H](N)CC1CCCCC1)C(C)C.
What is the InChIKey of N-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide?
The InChIKey is ZJSUPCPAORPNES-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H38N2O2S/c1-4-12-23(21,22)20-14-17(15(2)3)10-11-18(19)13-16-8-6-5-7-9-16/h15-18,20H,4-14,19H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of N-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide?
N-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide has a molecular weight of 346.58 g/mol, XLogP of 3.67, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,5S)-5-amino-6-cyclohexyl-2-propan-2-ylhexyl]propane-1-sulfonamide is sourced from PubChem (CID 57146503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).