1-amino-1-cyclohexylpropane-2-sulfonamide

C9H20N2O2S — CID 174660320

IUPAC1-amino-1-cyclohexylpropane-2-sulfonamide
SMILESCC(C(N)C1CCCCC1)S(N)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-7(14(11,12)13)9(10)8-5-3-2-4-6-8/h7-9H,2-6,10H2,1H3,(H2,11,12,13)
InChIKeyJTILMAFPYZMPCZ-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.57
Rot. Bonds3

About 1-amino-1-cyclohexylpropane-2-sulfonamide

1-amino-1-cyclohexylpropane-2-sulfonamide (PubChem CID 174660320) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-amino-1-cyclohexylpropane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-1-cyclohexylpropane-2-sulfonamide
PubChem CID174660320
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-amino-1-cyclohexylpropane-2-sulfonamide
SMILESCC(C(N)C1CCCCC1)S(N)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-7(14(11,12)13)9(10)8-5-3-2-4-6-8/h7-9H,2-6,10H2,1H3,(H2,11,12,13)
InChIKeyJTILMAFPYZMPCZ-UHFFFAOYSA-N
XLogP0.57
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-cyclohexylpropane-2-sulfonamide?
The IUPAC name of 1-amino-1-cyclohexylpropane-2-sulfonamide (CID 174660320) is 1-amino-1-cyclohexylpropane-2-sulfonamide.
What is the SMILES notation for 1-amino-1-cyclohexylpropane-2-sulfonamide?
The canonical SMILES for 1-amino-1-cyclohexylpropane-2-sulfonamide is CC(C(N)C1CCCCC1)S(N)(=O)=O.
What is the InChIKey of 1-amino-1-cyclohexylpropane-2-sulfonamide?
The InChIKey is JTILMAFPYZMPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-7(14(11,12)13)9(10)8-5-3-2-4-6-8/h7-9H,2-6,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-1-cyclohexylpropane-2-sulfonamide?
1-amino-1-cyclohexylpropane-2-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-cyclohexylpropane-2-sulfonamide is sourced from PubChem (CID 174660320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).