[trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine

C10H22N2O2S — CID 68898538

IUPACN-[4-(aminomethyl)cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CC1)CN
InChIInChI=1S/C10H22N2O2S/c1-8(2)15(13,14)12-10-5-3-9(7-11)4-6-10/h8-10,12H,3-7,11H2,1-2H3
InChIKeyPLLFTCPZXGTOCK-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.70
Rot. Bonds4

About [trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine

[trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine (PubChem CID 68898538) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound Name[trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine
PubChem CID68898538
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[4-(aminomethyl)cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CC1)CN
InChIInChI=1S/C10H22N2O2S/c1-8(2)15(13,14)12-10-5-3-9(7-11)4-6-10/h8-10,12H,3-7,11H2,1-2H3
InChIKeyPLLFTCPZXGTOCK-UHFFFAOYSA-N
XLogP0.70
TPSA80.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity274

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine?
The IUPAC name of [trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine (CID 68898538) is N-[4-(aminomethyl)cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for [trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine?
The canonical SMILES for [trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine is CC(C)S(=O)(=O)NC1CCC(CC1)CN.
What is the InChIKey of [trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine?
The InChIKey is PLLFTCPZXGTOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(2)15(13,14)12-10-5-3-9(7-11)4-6-10/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of [trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine?
[trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine has a molecular weight of 234.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine is sourced from PubChem (CID 68898538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).