2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide

C13H22N4O2S — CID 62407787

IUPAC2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnc(N)nc1)C1CCCCC1
InChIInChI=1S/C13H22N4O2S/c1-2-12(10-6-4-3-5-7-10)17-20(18,19)11-8-15-13(14)16-9-11/h8-10,12,17H,2-7H2,1H3,(H2,14,15,16)
InChIKeyBMHQYJDEUSVGMI-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.70
Rot. Bonds5

About 2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide

2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide (PubChem CID 62407787) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide
PubChem CID62407787
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnc(N)nc1)C1CCCCC1
InChIInChI=1S/C13H22N4O2S/c1-2-12(10-6-4-3-5-7-10)17-20(18,19)11-8-15-13(14)16-9-11/h8-10,12,17H,2-7H2,1H3,(H2,14,15,16)
InChIKeyBMHQYJDEUSVGMI-UHFFFAOYSA-N
XLogP1.70
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62150881
4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide
CID 107650272
N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride
CID 120710800
N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 62405635
2-amino-N-(2-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 62153641
2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide
CID 62407232
N-(1-cyclohexylpropyl)-2-hydrazinylbenzenesulfonamide
CID 62405804
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide
CID 63421394
2-amino-N-(1-cyclohexylpropyl)-1,3-oxazole-5-carboxamide
CID 167984557
2-amino-N-octan-4-ylpyrimidine-5-sulfonamide
CID 106027708

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide (CID 62407787) is 2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide is CCC(NS(=O)(=O)c1cnc(N)nc1)C1CCCCC1.
What is the InChIKey of 2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide?
The InChIKey is BMHQYJDEUSVGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-2-12(10-6-4-3-5-7-10)17-20(18,19)11-8-15-13(14)16-9-11/h8-10,12,17H,2-7H2,1H3,(H2,14,15,16).
What are the key properties of 2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide?
2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62407787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).