N-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride

C16H30ClN3O4S — CID 119658035

IUPACN-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1CC(=O)N(C2CCS(=O)(=O)C2)C1.Cl
InChIInChI=1S/C16H29N3O4S.ClH/c1-11(2)14(17)4-6-18(3)16(21)12-8-15(20)19(9-12)13-5-7-24(22,23)10-13;/h11-14H,4-10,17H2,1-3H3;1H
InChIKeyQUZNHKOSFSAHCD-UHFFFAOYSA-N
MW395.95 g/mol
LogP0.28
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119658035) has the molecular formula C16H30ClN3O4S and a molecular weight of 395.95 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119658035
Molecular FormulaC16H30ClN3O4S
Molecular Weight395.95 g/mol
Exact Mass395.16
IUPAC NameN-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1CC(=O)N(C2CCS(=O)(=O)C2)C1.Cl
InChIInChI=1S/C16H29N3O4S.ClH/c1-11(2)14(17)4-6-18(3)16(21)12-8-15(20)19(9-12)13-5-7-24(22,23)10-13;/h11-14H,4-10,17H2,1-3H3;1H
InChIKeyQUZNHKOSFSAHCD-UHFFFAOYSA-N
XLogP0.28
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.95
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119661116
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 35439776
1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182271
N-[1-(3,4-difluorophenyl)ethyl]-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42958193
1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 110411836
(3R)-N,N-dibenzyl-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 97015464
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 43066141
(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 99775238
1-(1,1-dioxothiolan-3-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 43066223
N-(2-cyanoethyl)-1-cyclopentyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51074163
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 94177997
(3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 124726607

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119658035) is N-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)C1CC(=O)N(C2CCS(=O)(=O)C2)C1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is QUZNHKOSFSAHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4S.ClH/c1-11(2)14(17)4-6-18(3)16(21)12-8-15(20)19(9-12)13-5-7-24(22,23)10-13;/h11-14H,4-10,17H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 395.95 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119658035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).