N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride

C15H22ClN5O4S — CID 120607387

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
SMILESCC1CCCCC1(CN)NS(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.Cl
InChIInChI=1S/C15H21N5O4S.ClH/c1-9-4-2-3-5-15(9,8-16)20-25(23,24)10-6-11-12(17-7-10)18-14(22)19-13(11)21;/h6-7,9,20H,2-5,8,16H2,1H3,(H2,17,18,19,21,22);1H
InChIKeyDAYDEQBESCTRRK-UHFFFAOYSA-N
MW403.89 g/mol
LogP0.22
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride

N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride (PubChem CID 120607387) has the molecular formula C15H22ClN5O4S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
PubChem CID120607387
Molecular FormulaC15H22ClN5O4S
Molecular Weight403.89 g/mol
Exact Mass403.11
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
SMILESCC1CCCCC1(CN)NS(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.Cl
InChIInChI=1S/C15H21N5O4S.ClH/c1-9-4-2-3-5-15(9,8-16)20-25(23,24)10-6-11-12(17-7-10)18-14(22)19-13(11)21;/h6-7,9,20H,2-5,8,16H2,1H3,(H2,17,18,19,21,22);1H
InChIKeyDAYDEQBESCTRRK-UHFFFAOYSA-N
XLogP0.22
TPSA150.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride with MolForge

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride
CID 120713581
N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
CID 120607244
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 115308869
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride
CID 120607414
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 120607479
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120607447
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride
CID 120607415
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 120607480
3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride
CID 120607408
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide
CID 120607207
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 120607192

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride (CID 120607387) is N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride is CC1CCCCC1(CN)NS(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
The InChIKey is DAYDEQBESCTRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S.ClH/c1-9-4-2-3-5-15(9,8-16)20-25(23,24)10-6-11-12(17-7-10)18-14(22)19-13(11)21;/h6-7,9,20H,2-5,8,16H2,1H3,(H2,17,18,19,21,22);1H.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride has a molecular weight of 403.89 g/mol, XLogP of 0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride is sourced from PubChem (CID 120607387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).