2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide

C11H22N2O3S — CID 43648743

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-4-8(2)10(12)11(14)13(3)9-5-6-17(15,16)7-9/h8-10H,4-7,12H2,1-3H3
InChIKeyHRQDZUJDYBCNKC-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.01
Rot. Bonds4

About 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide

2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide (PubChem CID 43648743) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide
PubChem CID43648743
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-4-8(2)10(12)11(14)13(3)9-5-6-17(15,16)7-9/h8-10H,4-7,12H2,1-3H3
InChIKeyHRQDZUJDYBCNKC-UHFFFAOYSA-N
XLogP0.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride
CID 119670187
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 76893547
tert-butyl N-[(2S)-1-[(1,1-dioxothiolan-3-yl)-methylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110677909
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
ethyl 2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoacetate
CID 3720858
3-cyano-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide
CID 82118099
2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 54869645
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
2-amino-N-(1,2-dimethylpiperidin-4-yl)-N,3-dimethylpentanamide
CID 119893712

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide (CID 43648743) is 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide is CCC(C)C(N)C(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide?
The InChIKey is HRQDZUJDYBCNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-8(2)10(12)11(14)13(3)9-5-6-17(15,16)7-9/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide?
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide has a molecular weight of 262.37 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide is sourced from PubChem (CID 43648743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).