N-(1,1-dioxothiolan-3-yl)butanamide

C8H15NO3S — CID 18573523

IUPACN-(1,1-dioxothiolan-3-yl)butanamide
SMILESCCCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S/c1-2-3-8(10)9-7-4-5-13(11,12)6-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyBVDQCZWWPOTNOE-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.09
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)butanamide

N-(1,1-dioxothiolan-3-yl)butanamide (PubChem CID 18573523) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)butanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)butanamide
PubChem CID18573523
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)butanamide
SMILESCCCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S/c1-2-3-8(10)9-7-4-5-13(11,12)6-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyBVDQCZWWPOTNOE-UHFFFAOYSA-N
XLogP0.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)propanamide
CID 62831905
6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555
3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
CID 42943455
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026291
N-(1,1-dioxothiolan-3-yl)-3-(ethylcarbamothioylamino)propanamide
CID 43076178
3-[butyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113136680
7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide
CID 24710783
methyl N-(1,1-dioxothiolan-3-yl)carbamate
CID 2999519
2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110852811
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N-(1,1-dioxothiolan-3-yl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 51240360

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)butanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)butanamide (CID 18573523) is N-(1,1-dioxothiolan-3-yl)butanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)butanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)butanamide is CCCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)butanamide?
The InChIKey is BVDQCZWWPOTNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-2-3-8(10)9-7-4-5-13(11,12)6-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of N-(1,1-dioxothiolan-3-yl)butanamide?
N-(1,1-dioxothiolan-3-yl)butanamide has a molecular weight of 205.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)butanamide is sourced from PubChem (CID 18573523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).