N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride

C14H22ClN5O4S — CID 119981185

IUPACN-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C.Cl
InChIInChI=1S/C14H21N5O4S.ClH/c1-4-14(5-2,8-15)18-24(22,23)9-6-10-11(16-7-9)19(3)13(21)17-12(10)20;/h6-7,18H,4-5,8,15H2,1-3H3,(H,17,20,21);1H
InChIKeyLGBKTGOGIXMKOR-UHFFFAOYSA-N
MW391.88 g/mol
LogP-0.16
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride (PubChem CID 119981185) has the molecular formula C14H22ClN5O4S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
PubChem CID119981185
Molecular FormulaC14H22ClN5O4S
Molecular Weight391.88 g/mol
Exact Mass391.11
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C.Cl
InChIInChI=1S/C14H21N5O4S.ClH/c1-4-14(5-2,8-15)18-24(22,23)9-6-10-11(16-7-9)19(3)13(21)17-12(10)20;/h6-7,18H,4-5,8,15H2,1-3H3,(H,17,20,21);1H
InChIKeyLGBKTGOGIXMKOR-UHFFFAOYSA-N
XLogP-0.16
TPSA139.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride (CID 119981185) is N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride is CCC(CC)(CN)NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
The InChIKey is LGBKTGOGIXMKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S.ClH/c1-4-14(5-2,8-15)18-24(22,23)9-6-10-11(16-7-9)19(3)13(21)17-12(10)20;/h6-7,18H,4-5,8,15H2,1-3H3,(H,17,20,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride has a molecular weight of 391.88 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride is sourced from PubChem (CID 119981185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).