4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide

C14H25NO3S — CID 71994756

IUPAC4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide
SMILESO=C(CCCC1CCCC1)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C14H25NO3S/c16-14(9-3-7-12-5-1-2-6-12)15-13-8-4-10-19(17,18)11-13/h12-13H,1-11H2,(H,15,16)
InChIKeyNUKBUIFYCXMQCA-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.04
Rot. Bonds5

About 4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide

4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide (PubChem CID 71994756) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide
PubChem CID71994756
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide
SMILESO=C(CCCC1CCCC1)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C14H25NO3S/c16-14(9-3-7-12-5-1-2-6-12)15-13-8-4-10-19(17,18)11-13/h12-13H,1-11H2,(H,15,16)
InChIKeyNUKBUIFYCXMQCA-UHFFFAOYSA-N
XLogP2.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1,1-dioxothian-3-yl)butanamide
CID 63923315
N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide
CID 63923533
6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555
N-cyclohexyl-2-[(1,1-dioxothian-3-yl)amino]acetamide
CID 63921753
7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide
CID 24710783
4-cyclopentyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119454408
4-cyclobutyl-N-[4-(hydroxymethyl)cyclohexyl]butanamide
CID 115277387
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320958
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
4-[(1,1-dioxothian-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 63922384
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-dioxothian-3-yl)acetamide;hydrochloride
CID 119784481

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide?
The IUPAC name of 4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide (CID 71994756) is 4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide.
What is the SMILES notation for 4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide?
The canonical SMILES for 4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide is O=C(CCCC1CCCC1)NC1CCCS(=O)(=O)C1.
What is the InChIKey of 4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide?
The InChIKey is NUKBUIFYCXMQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c16-14(9-3-7-12-5-1-2-6-12)15-13-8-4-10-19(17,18)11-13/h12-13H,1-11H2,(H,15,16).
What are the key properties of 4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide?
4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide has a molecular weight of 287.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide is sourced from PubChem (CID 71994756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).