N-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide

C12H26N2O3S — CID 54973993

IUPACN-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H26N2O3S/c1-10(2)13-8-3-9-18(16,17)14-11-4-6-12(15)7-5-11/h10-15H,3-9H2,1-2H3
InChIKeyUTUDVWPDMLEMMW-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.60
Rot. Bonds7

About N-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide

N-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 54973993) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID54973993
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H26N2O3S/c1-10(2)13-8-3-9-18(16,17)14-11-4-6-12(15)7-5-11/h10-15H,3-9H2,1-2H3
InChIKeyUTUDVWPDMLEMMW-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide (CID 54973993) is N-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is UTUDVWPDMLEMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-10(2)13-8-3-9-18(16,17)14-11-4-6-12(15)7-5-11/h10-15H,3-9H2,1-2H3.
What are the key properties of N-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
N-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 54973993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).