N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide

C11H21NO3S — CID 86977043

IUPACN-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-4-6-12(11(13)9(2)3)10-5-7-16(14,15)8-10/h9-10H,4-8H2,1-3H3
InChIKeyUSGDFKKIUOKIJM-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.07
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide

N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide (PubChem CID 86977043) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
PubChem CID86977043
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-4-6-12(11(13)9(2)3)10-5-7-16(14,15)8-10/h9-10H,4-8H2,1-3H3
InChIKeyUSGDFKKIUOKIJM-UHFFFAOYSA-N
XLogP1.07
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide
CID 103514735
4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride
CID 120559052
2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 54869645
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 55395330
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)hexanamide
CID 60940048
(2S)-2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)pentanamide
CID 107568879
N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 3791230
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
CID 109003505

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide (CID 86977043) is N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide is CCCN(C(=O)C(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide?
The InChIKey is USGDFKKIUOKIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-4-6-12(11(13)9(2)3)10-5-7-16(14,15)8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide?
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide has a molecular weight of 247.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide is sourced from PubChem (CID 86977043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).