N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide

C10H21NO3S — CID 64724785

IUPACN-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C10H21NO3S/c1-2-8-15(13,14)11-9-10(12)6-4-3-5-7-10/h11-12H,2-9H2,1H3
InChIKeyGJAQDEHPQIVEHX-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.01
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide

N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide (PubChem CID 64724785) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
PubChem CID64724785
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C10H21NO3S/c1-2-8-15(13,14)11-9-10(12)6-4-3-5-7-10/h11-12H,2-9H2,1H3
InChIKeyGJAQDEHPQIVEHX-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide (CID 64724785) is N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The InChIKey is GJAQDEHPQIVEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-2-8-15(13,14)11-9-10(12)6-4-3-5-7-10/h11-12H,2-9H2,1H3.
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 64724785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).