5-[(sulfanylamino)methyl]thiophene-3-carbonitrile

C6H6N2S2 — CID 163226439

IUPAC5-[(sulfanylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNS)c1
InChIInChI=1S/C6H6N2S2/c7-2-5-1-6(3-8-9)10-4-5/h1,4,8-9H,3H2
InChIKeyVYZVBUXNUADIMF-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.55
Rot. Bonds2

About 5-[(sulfanylamino)methyl]thiophene-3-carbonitrile

5-[(sulfanylamino)methyl]thiophene-3-carbonitrile (PubChem CID 163226439) has the molecular formula C6H6N2S2 and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-[(sulfanylamino)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[(sulfanylamino)methyl]thiophene-3-carbonitrile
PubChem CID163226439
Molecular FormulaC6H6N2S2
Molecular Weight170.26 g/mol
Exact Mass170.00
IUPAC Name5-[(sulfanylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNS)c1
InChIInChI=1S/C6H6N2S2/c7-2-5-1-6(3-8-9)10-4-5/h1,4,8-9H,3H2
InChIKeyVYZVBUXNUADIMF-UHFFFAOYSA-N
XLogP1.55
TPSA35.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-Aminomethyl-2-cyanothiophene
CID 9834089
(3-Methylthiophen-2-yl)methanamine
CID 2798756
(4-Methylthiophen-2-yl)methanamine
CID 2795528
2-Amino-2-(thiophen-2-yl)acetonitrile hydrochloride
CID 13352456
5-Aminomethyl-thiophene-3-carbonitrile hydrochloride
CID 21866464
4-(Aminomethyl)thiophene-2-carbonitrile--hydrogen chloride (1/1)
CID 21866493
5-(Aminomethyl)thiophene-2-carbonitrile hydrochloride
CID 21866520
5-Methyl-3-thiophenemethanamine
CID 54013578
(3-Ethylthiophen-2-yl)methanamine
CID 61389287
alpha-Amino-2-thiopheneacetonitrile
CID 11344054
[5-(Trifluoromethyl)thiophen-3-yl]methanamine
CID 82654407
[4-(Trifluoromethyl)thiophen-2-yl]methanamine hydrochloride
CID 137944252

Frequently Asked Questions

What is the IUPAC name of 5-[(sulfanylamino)methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[(sulfanylamino)methyl]thiophene-3-carbonitrile (CID 163226439) is 5-[(sulfanylamino)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[(sulfanylamino)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[(sulfanylamino)methyl]thiophene-3-carbonitrile is N#Cc1csc(CNS)c1.
What is the InChIKey of 5-[(sulfanylamino)methyl]thiophene-3-carbonitrile?
The InChIKey is VYZVBUXNUADIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S2/c7-2-5-1-6(3-8-9)10-4-5/h1,4,8-9H,3H2.
What are the key properties of 5-[(sulfanylamino)methyl]thiophene-3-carbonitrile?
5-[(sulfanylamino)methyl]thiophene-3-carbonitrile has a molecular weight of 170.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(sulfanylamino)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 163226439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).