1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide

C9H14N2O3S — CID 81168828

IUPAC1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)NC2C=CS(=O)(=O)C2)CCC1
InChIInChI=1S/C9H14N2O3S/c10-9(3-1-4-9)8(12)11-7-2-5-15(13,14)6-7/h2,5,7H,1,3-4,6,10H2,(H,11,12)
InChIKeyMVJGLHLTJJMTPO-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.71
Rot. Bonds2

About 1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide

1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide (PubChem CID 81168828) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide
PubChem CID81168828
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)NC2C=CS(=O)(=O)C2)CCC1
InChIInChI=1S/C9H14N2O3S/c10-9(3-1-4-9)8(12)11-7-2-5-15(13,14)6-7/h2,5,7H,1,3-4,6,10H2,(H,11,12)
InChIKeyMVJGLHLTJJMTPO-UHFFFAOYSA-N
XLogP-0.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide
CID 60704821
1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
CID 54925385
1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-propylurea
CID 102551532
1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 81168637
[1-[[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]methyl]cyclohexyl]methanol
CID 81418866
N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60694060
1-(azepan-1-yl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]ethanone
CID 60694047
1-butyl-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
CID 43828062
O-ethyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamothioate
CID 43827766
(3S)-1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81123403
1-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cyclopentane-1-carboxamide
CID 94415546
1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 125174611

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide (CID 81168828) is 1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide is NC1(C(=O)NC2C=CS(=O)(=O)C2)CCC1.
What is the InChIKey of 1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide?
The InChIKey is MVJGLHLTJJMTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c10-9(3-1-4-9)8(12)11-7-2-5-15(13,14)6-7/h2,5,7H,1,3-4,6,10H2,(H,11,12).
What are the key properties of 1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide?
1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide has a molecular weight of 230.29 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81168828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).