1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide

C10H19N3O3S — CID 55108616

IUPAC1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C2CS(=O)(=O)CC2N)C1
InChIInChI=1S/C10H19N3O3S/c11-8-5-17(15,16)6-9(8)13-3-1-2-7(4-13)10(12)14/h7-9H,1-6,11H2,(H2,12,14)
InChIKeyIOHGHVPCKGJHNO-UHFFFAOYSA-N
MW261.35 g/mol
LogP-1.69
Rot. Bonds2

About 1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide

1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide (PubChem CID 55108616) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
PubChem CID55108616
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C2CS(=O)(=O)CC2N)C1
InChIInChI=1S/C10H19N3O3S/c11-8-5-17(15,16)6-9(8)13-3-1-2-7(4-13)10(12)14/h7-9H,1-6,11H2,(H2,12,14)
InChIKeyIOHGHVPCKGJHNO-UHFFFAOYSA-N
XLogP-1.69
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 7012261
1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine
CID 62692740
4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine
CID 63624640
4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine
CID 62691466
1-(2-hydroxycyclopentyl)piperidine-3-carboxamide
CID 60712103
1-methanidylpiperidine-3-carboxamide
CID 23545608
1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 60666013
1,1-dioxo-4-(1,4-thiazepan-4-yl)thiolan-3-amine
CID 62694304
(3R)-1-[(1R,3R)-3-methylcyclopentyl]piperidine-3-carboxamide
CID 30979824
1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine
CID 62048962
4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine
CID 102965731
1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine
CID 55108617

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide (CID 55108616) is 1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide is NC(=O)C1CCCN(C2CS(=O)(=O)CC2N)C1.
What is the InChIKey of 1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide?
The InChIKey is IOHGHVPCKGJHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c11-8-5-17(15,16)6-9(8)13-3-1-2-7(4-13)10(12)14/h7-9H,1-6,11H2,(H2,12,14).
What are the key properties of 1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide?
1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide has a molecular weight of 261.35 g/mol, XLogP of -1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55108616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).