N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide

C10H13ClN2O2S — CID 106684884

IUPACN-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide
SMILESCCCC(NC(=O)c1ccoc1Cl)C(N)=S
InChIInChI=1S/C10H13ClN2O2S/c1-2-3-7(9(12)16)13-10(14)6-4-5-15-8(6)11/h4-5,7H,2-3H2,1H3,(H2,12,16)(H,13,14)
InChIKeyWRVXXNUSZMQKBT-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.12
Rot. Bonds5

About N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide

N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide (PubChem CID 106684884) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide
PubChem CID106684884
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC NameN-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide
SMILESCCCC(NC(=O)c1ccoc1Cl)C(N)=S
InChIInChI=1S/C10H13ClN2O2S/c1-2-3-7(9(12)16)13-10(14)6-4-5-15-8(6)11/h4-5,7H,2-3H2,1H3,(H2,12,16)(H,13,14)
InChIKeyWRVXXNUSZMQKBT-UHFFFAOYSA-N
XLogP2.12
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid
CID 106683349
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-chloro-2-methylbenzamide
CID 82883979
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-chloro-2-fluorobenzamide
CID 61120893
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chloro-4-methylbenzamide
CID 106861270
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methylbenzamide
CID 61120312
N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide
CID 61120309
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-hydroxy-5-methylbenzamide
CID 61121293
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide
CID 114820691
2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106683604
2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106688386
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate
CID 106686124

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide (CID 106684884) is N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide is CCCC(NC(=O)c1ccoc1Cl)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide?
The InChIKey is WRVXXNUSZMQKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-2-3-7(9(12)16)13-10(14)6-4-5-15-8(6)11/h4-5,7H,2-3H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide?
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide has a molecular weight of 260.75 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106684884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).