N-butyl-N-(1,1-dioxothian-4-yl)acetamide

C11H21NO3S — CID 123376891

IUPACN-butyl-N-(1,1-dioxothian-4-yl)acetamide
SMILESCCCCN(C(C)=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO3S/c1-3-4-7-12(10(2)13)11-5-8-16(14,15)9-6-11/h11H,3-9H2,1-2H3
InChIKeyLVFPWDZEERTPED-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.21
Rot. Bonds4

About N-butyl-N-(1,1-dioxothian-4-yl)acetamide

N-butyl-N-(1,1-dioxothian-4-yl)acetamide (PubChem CID 123376891) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothian-4-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothian-4-yl)acetamide
PubChem CID123376891
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-butyl-N-(1,1-dioxothian-4-yl)acetamide
SMILESCCCCN(C(C)=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO3S/c1-3-4-7-12(10(2)13)11-5-8-16(14,15)9-6-11/h11H,3-9H2,1-2H3
InChIKeyLVFPWDZEERTPED-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-butyl-N-methylpropanamide
CID 113121639
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide
CID 103514735
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide
CID 113056020
butyl-[(3R)-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 51496105
1-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-pentylurea
CID 97064600
5-[butyl-(1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60662219
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride
CID 119682488
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
2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 54869645
N-butyl-N-(1,1-dioxothiolan-3-yl)adamantane-2-carboxamide
CID 134026791

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothian-4-yl)acetamide?
The IUPAC name of N-butyl-N-(1,1-dioxothian-4-yl)acetamide (CID 123376891) is N-butyl-N-(1,1-dioxothian-4-yl)acetamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothian-4-yl)acetamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothian-4-yl)acetamide is CCCCN(C(C)=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-butyl-N-(1,1-dioxothian-4-yl)acetamide?
The InChIKey is LVFPWDZEERTPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-3-4-7-12(10(2)13)11-5-8-16(14,15)9-6-11/h11H,3-9H2,1-2H3.
What are the key properties of N-butyl-N-(1,1-dioxothian-4-yl)acetamide?
N-butyl-N-(1,1-dioxothian-4-yl)acetamide has a molecular weight of 247.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothian-4-yl)acetamide is sourced from PubChem (CID 123376891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).