2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide

C13H22N4O2S — CID 63244295

IUPAC2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCC2CCC(C)CC2)cn1
InChIInChI=1S/C13H22N4O2S/c1-10-3-5-11(6-4-10)7-17-20(18,19)12-8-15-13(14-2)16-9-12/h8-11,17H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyGBELDCITYHSRHJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.62
Rot. Bonds5

About 2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide

2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide (PubChem CID 63244295) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide
PubChem CID63244295
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCC2CCC(C)CC2)cn1
InChIInChI=1S/C13H22N4O2S/c1-10-3-5-11(6-4-10)7-17-20(18,19)12-8-15-13(14-2)16-9-12/h8-11,17H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyGBELDCITYHSRHJ-UHFFFAOYSA-N
XLogP1.62
TPSA83.98 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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide (CID 63244295) is 2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)NCC2CCC(C)CC2)cn1.
What is the InChIKey of 2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide?
The InChIKey is GBELDCITYHSRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-10-3-5-11(6-4-10)7-17-20(18,19)12-8-15-13(14-2)16-9-12/h8-11,17H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide?
2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 63244295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).