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

C10H22N2O2S — CID 43598242

IUPACN-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C10H22N2O2S/c1-2-8-15(13,14)12-9-10(11)6-4-3-5-7-10/h12H,2-9,11H2,1H3
InChIKeyNPZQAGYDVGECDH-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.98
Rot. Bonds5

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

N-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide (PubChem CID 43598242) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide
PubChem CID43598242
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C10H22N2O2S/c1-2-8-15(13,14)12-9-10(11)6-4-3-5-7-10/h12H,2-9,11H2,1H3
InChIKeyNPZQAGYDVGECDH-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide (CID 43598242) is N-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1(N)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide?
The InChIKey is NPZQAGYDVGECDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-8-15(13,14)12-9-10(11)6-4-3-5-7-10/h12H,2-9,11H2,1H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide?
N-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 43598242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).