N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide

C10H12ClN3O2S2 — CID 54954733

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NCC(N)=S)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClN3O2S2/c1-5(6-2-3-7(11)18-6)14-10(16)9(15)13-4-8(12)17/h2-3,5H,4H2,1H3,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyFGUDYEVESVEECA-UHFFFAOYSA-N
MW305.81 g/mol
LogP0.98
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide (PubChem CID 54954733) has the molecular formula C10H12ClN3O2S2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide
PubChem CID54954733
Molecular FormulaC10H12ClN3O2S2
Molecular Weight305.81 g/mol
Exact Mass305.01
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NCC(N)=S)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClN3O2S2/c1-5(6-2-3-7(11)18-6)14-10(16)9(15)13-4-8(12)17/h2-3,5H,4H2,1H3,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyFGUDYEVESVEECA-UHFFFAOYSA-N
XLogP0.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide
CID 54953645
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(Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide
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3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
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methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
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2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
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CID 103749027
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
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1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
1-butyl-3-[1-(5-chlorothiophen-2-yl)ethyl]thiourea
CID 115579585
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76925998

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide (CID 54954733) is N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide is CC(NC(=O)C(=O)NCC(N)=S)c1ccc(Cl)s1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide?
The InChIKey is FGUDYEVESVEECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S2/c1-5(6-2-3-7(11)18-6)14-10(16)9(15)13-4-8(12)17/h2-3,5H,4H2,1H3,(H2,12,17)(H,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide has a molecular weight of 305.81 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 54954733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).