(2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide

C10H20N2O3S — CID 103796806

IUPAC(2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide
SMILESCCC[C@@H](N)C(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-2-4-9(11)10(13)12-8-5-3-6-16(14,15)7-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyKOPUJRANDPJTOW-YGPZHTELSA-N
MW248.35 g/mol
LogP-0.19
Rot. Bonds4

About (2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide

(2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide (PubChem CID 103796806) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide
PubChem CID103796806
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name(2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide
SMILESCCC[C@@H](N)C(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-2-4-9(11)10(13)12-8-5-3-6-16(14,15)7-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyKOPUJRANDPJTOW-YGPZHTELSA-N
XLogP-0.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide 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

(2S)-2-amino-N-(1,1-dioxothian-3-yl)-4-phenylbutanamide
CID 104984424
2-amino-N-(1,1-dioxothian-3-yl)-3,3-dimethylbutanamide
CID 77013077
ethyl 2-[(1,1-dioxothian-3-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116538085
2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide
CID 79811013
benzyl (3S)-3-amino-4-[(1,1-dioxothian-3-yl)amino]-4-oxobutanoate
CID 114274822
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide
CID 63924115
3-(2-aminopentanoylamino)cyclohexane-1-carboxamide
CID 119309150
ethyl 2-[(1,1-dioxothian-3-yl)amino]-2-oxoacetate
CID 63924377
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
2-amino-N-(3-ethylcyclohexyl)pentanamide;hydrochloride
CID 119329059
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide?
The IUPAC name of (2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide (CID 103796806) is (2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide is CCC[C@@H](N)C(=O)NC1CCCS(=O)(=O)C1.
What is the InChIKey of (2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide?
The InChIKey is KOPUJRANDPJTOW-YGPZHTELSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-2-4-9(11)10(13)12-8-5-3-6-16(14,15)7-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide?
(2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide has a molecular weight of 248.35 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide is sourced from PubChem (CID 103796806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).