3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine

C10H23N3O2S — CID 106126062

IUPAC3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine
SMILESCC(C)NS(=O)(=O)NCC1CCCC(N)C1
InChIInChI=1S/C10H23N3O2S/c1-8(2)13-16(14,15)12-7-9-4-3-5-10(11)6-9/h8-10,12-13H,3-7,11H2,1-2H3
InChIKeyTWCRUJCHQAFZMY-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.34
Rot. Bonds5

About 3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine

3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine (PubChem CID 106126062) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine
PubChem CID106126062
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine
SMILESCC(C)NS(=O)(=O)NCC1CCCC(N)C1
InChIInChI=1S/C10H23N3O2S/c1-8(2)13-16(14,15)12-7-9-4-3-5-10(11)6-9/h8-10,12-13H,3-7,11H2,1-2H3
InChIKeyTWCRUJCHQAFZMY-UHFFFAOYSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126084
N-(piperidin-3-ylmethylsulfamoyl)propan-2-amine
CID 114807423
N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 114146872
N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide
CID 114146871
3-[(methylsulfamoylamino)methyl]cyclobutan-1-amine
CID 114812877
N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 106126037
2-(3-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777908
3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine
CID 64598761
N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide
CID 106125438
N-[(6-methylpiperidin-2-yl)methylsulfamoyl]propan-2-amine
CID 114807507
N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide
CID 106126034
N-(piperidin-2-ylmethylsulfamoyl)propan-2-amine
CID 114807413

Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine (CID 106126062) is 3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine is CC(C)NS(=O)(=O)NCC1CCCC(N)C1.
What is the InChIKey of 3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine?
The InChIKey is TWCRUJCHQAFZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-8(2)13-16(14,15)12-7-9-4-3-5-10(11)6-9/h8-10,12-13H,3-7,11H2,1-2H3.
What are the key properties of 3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine?
3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106126062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).