2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide

C13H22N4O2S — CID 62153482

IUPAC2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2cnc(N)nc2)CC1
InChIInChI=1S/C13H22N4O2S/c1-3-10-4-6-11(7-5-10)17(2)20(18,19)12-8-15-13(14)16-9-12/h8-11H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyLMFTYRHWWNCZAM-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.65
Rot. Bonds4

About 2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide

2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide (PubChem CID 62153482) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide
PubChem CID62153482
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2cnc(N)nc2)CC1
InChIInChI=1S/C13H22N4O2S/c1-3-10-4-6-11(7-5-10)17(2)20(18,19)12-8-15-13(14)16-9-12/h8-11H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyLMFTYRHWWNCZAM-UHFFFAOYSA-N
XLogP1.65
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-cyclopentyl-N-methylpyrimidine-5-sulfonamide
CID 62142744
3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide
CID 61125446
3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide
CID 103305584
2-amino-N-methyl-N-(2-methylcyclohexyl)pyrimidine-5-sulfonamide
CID 62159050
4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61449550
2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 63402365
5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61125255
N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide
CID 62148862
2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 62143970
2-amino-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 62150401
2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79173042
N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide
CID 84599468

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide (CID 62153482) is 2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide is CCC1CCC(N(C)S(=O)(=O)c2cnc(N)nc2)CC1.
What is the InChIKey of 2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide?
The InChIKey is LMFTYRHWWNCZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-10-4-6-11(7-5-10)17(2)20(18,19)12-8-15-13(14)16-9-12/h8-11H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide?
2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide is sourced from PubChem (CID 62153482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).