N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide

C12H25NO3S — CID 170667026

IUPACN-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide
SMILESCC(C)C1CCC(S(=O)(=O)NCCCO)CC1
InChIInChI=1S/C12H25NO3S/c1-10(2)11-4-6-12(7-5-11)17(15,16)13-8-3-9-14/h10-14H,3-9H2,1-2H3
InChIKeyAEBGXVLRBHVVQE-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.50
Rot. Bonds6

About N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide

N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide (PubChem CID 170667026) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide
PubChem CID170667026
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide
SMILESCC(C)C1CCC(S(=O)(=O)NCCCO)CC1
InChIInChI=1S/C12H25NO3S/c1-10(2)11-4-6-12(7-5-11)17(15,16)13-8-3-9-14/h10-14H,3-9H2,1-2H3
InChIKeyAEBGXVLRBHVVQE-UHFFFAOYSA-N
XLogP1.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide (CID 170667026) is N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide is CC(C)C1CCC(S(=O)(=O)NCCCO)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide?
The InChIKey is AEBGXVLRBHVVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10(2)11-4-6-12(7-5-11)17(15,16)13-8-3-9-14/h10-14H,3-9H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide?
N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide is sourced from PubChem (CID 170667026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).