N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide

C8H10ClNO2S2 — CID 177035640

IUPACN-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide
SMILESC=S(=O)(NC(=O)CC)c1cc(Cl)cs1
InChIInChI=1S/C8H10ClNO2S2/c1-3-7(11)10-14(2,12)8-4-6(9)5-13-8/h4-5H,2-3H2,1H3,(H,10,11,12)
InChIKeyHPOSWWLCPARGKX-UHFFFAOYSA-N
MW251.76 g/mol
LogP1.92
Rot. Bonds3

About N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide

N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide (PubChem CID 177035640) has the molecular formula C8H10ClNO2S2 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide
PubChem CID177035640
Molecular FormulaC8H10ClNO2S2
Molecular Weight251.76 g/mol
Exact Mass250.98
IUPAC NameN-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide
SMILESC=S(=O)(NC(=O)CC)c1cc(Cl)cs1
InChIInChI=1S/C8H10ClNO2S2/c1-3-7(11)10-14(2,12)8-4-6(9)5-13-8/h4-5H,2-3H2,1H3,(H,10,11,12)
InChIKeyHPOSWWLCPARGKX-UHFFFAOYSA-N
XLogP1.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]urea
CID 177035502
(2S)-2,4-diamino-N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]butanamide
CID 177035556
3-amino-5-methylhexan-2-one;N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]formamide;methanamine
CID 177035634
N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79419634
3-amino-4-[[N-[(2S)-2-amino-4-methylpentanoyl]-S-(4-chlorothiophen-2-yl)sulfonimidoyl]amino]-4-oxobutanoic acid
CID 177035694
N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide
CID 154848330
tert-butyl 4-[[S-(4-chlorothiophen-2-yl)-N-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]sulfonimidoyl]amino]-4-oxobutanoate
CID 177035461
1-[4-(4-chlorophenyl)sulfonylthiophen-2-yl]propan-1-one
CID 164666979
(2S)-2-amino-N-[(4-chlorothiophen-2-yl)-[[2-(4-cyanophenyl)acetyl]amino]-oxo-λ6-sulfanylidene]-4-methylpentanamide
CID 177035484
2-amino-N-[(4-chlorothiophen-2-yl)-oxo-[[2-(2H-tetrazol-5-yl)acetyl]amino]-λ6-sulfanylidene]-4-methylpentanamide
CID 177035452
N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79420664
(2S)-2-amino-N-[(4-chlorothiophen-2-yl)-formamido-oxo-λ6-sulfanylidene]-4-methylpentanamide
CID 177035504

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide?
The IUPAC name of N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide (CID 177035640) is N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide is C=S(=O)(NC(=O)CC)c1cc(Cl)cs1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide?
The InChIKey is HPOSWWLCPARGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S2/c1-3-7(11)10-14(2,12)8-4-6(9)5-13-8/h4-5H,2-3H2,1H3,(H,10,11,12).
What are the key properties of N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide?
N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide has a molecular weight of 251.76 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]propanamide is sourced from PubChem (CID 177035640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).