N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride

C18H25ClN4O2S — CID 120713581

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride
SMILESCC1CCCCC1(CN)NS(=O)(=O)c1cnc(-c2ccccc2)nc1.Cl
InChIInChI=1S/C18H24N4O2S.ClH/c1-14-7-5-6-10-18(14,13-19)22-25(23,24)16-11-20-17(21-12-16)15-8-3-2-4-9-15;/h2-4,8-9,11-12,14,22H,5-7,10,13,19H2,1H3;1H
InChIKeyCRGPYBRISJEUMP-UHFFFAOYSA-N
MW396.94 g/mol
LogP2.75
Rot. Bonds5

About N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride (PubChem CID 120713581) has the molecular formula C18H25ClN4O2S and a molecular weight of 396.94 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride
PubChem CID120713581
Molecular FormulaC18H25ClN4O2S
Molecular Weight396.94 g/mol
Exact Mass396.14
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride
SMILESCC1CCCCC1(CN)NS(=O)(=O)c1cnc(-c2ccccc2)nc1.Cl
InChIInChI=1S/C18H24N4O2S.ClH/c1-14-7-5-6-10-18(14,13-19)22-25(23,24)16-11-20-17(21-12-16)15-8-3-2-4-9-15;/h2-4,8-9,11-12,14,22H,5-7,10,13,19H2,1H3;1H
InChIKeyCRGPYBRISJEUMP-UHFFFAOYSA-N
XLogP2.75
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride (CID 120713581) is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride is CC1CCCCC1(CN)NS(=O)(=O)c1cnc(-c2ccccc2)nc1.Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride?
The InChIKey is CRGPYBRISJEUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S.ClH/c1-14-7-5-6-10-18(14,13-19)22-25(23,24)16-11-20-17(21-12-16)15-8-3-2-4-9-15;/h2-4,8-9,11-12,14,22H,5-7,10,13,19H2,1H3;1H.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride?
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride has a molecular weight of 396.94 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120713581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).