N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride

C11H23ClN2O3S — CID 119571971

IUPACN-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C11H22N2O3S.ClH/c1-3-11(4-2,8-12)13-10(14)9-5-6-17(15,16)7-9;/h9H,3-8,12H2,1-2H3,(H,13,14);1H
InChIKeyZFCBEFPDBPKKMR-UHFFFAOYSA-N
MW298.84 g/mol
LogP0.48
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride (PubChem CID 119571971) has the molecular formula C11H23ClN2O3S and a molecular weight of 298.84 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride
PubChem CID119571971
Molecular FormulaC11H23ClN2O3S
Molecular Weight298.84 g/mol
Exact Mass298.11
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C11H22N2O3S.ClH/c1-3-11(4-2,8-12)13-10(14)9-5-6-17(15,16)7-9;/h9H,3-8,12H2,1-2H3,(H,13,14);1H
InChIKeyZFCBEFPDBPKKMR-UHFFFAOYSA-N
XLogP0.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide
CID 126818457
N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide
CID 63887978
N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide
CID 114383580
N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide
CID 107180771
N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide
CID 63888954
1,1-dioxo-N-(3-oxopentan-2-yl)thiolane-3-carboxamide
CID 64996718
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 77050135
4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119569773
N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 103919820
N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
CID 114315142
N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568934
N-(1-cyanopropyl)-1,1-dioxothiolane-3-carboxamide
CID 62867245

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride (CID 119571971) is N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)C1CCS(=O)(=O)C1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride?
The InChIKey is ZFCBEFPDBPKKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S.ClH/c1-3-11(4-2,8-12)13-10(14)9-5-6-17(15,16)7-9;/h9H,3-8,12H2,1-2H3,(H,13,14);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride is sourced from PubChem (CID 119571971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).