3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile

C9H11N3S — CID 103424676

IUPAC3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile
SMILESN#Cc1sc(NCC2CC2)cc1N
InChIInChI=1S/C9H11N3S/c10-4-8-7(11)3-9(13-8)12-5-6-1-2-6/h3,6,12H,1-2,5,11H2
InChIKeyRMAGLDRKDQATBL-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.02
Rot. Bonds3

About 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile

3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile (PubChem CID 103424676) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile
PubChem CID103424676
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile
SMILESN#Cc1sc(NCC2CC2)cc1N
InChIInChI=1S/C9H11N3S/c10-4-8-7(11)3-9(13-8)12-5-6-1-2-6/h3,6,12H,1-2,5,11H2
InChIKeyRMAGLDRKDQATBL-UHFFFAOYSA-N
XLogP2.02
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile
CID 103525977
3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
CID 103426608
3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile
CID 103432311
1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one
CID 103424660
4-amino-3-[(4-hydroxycyclohexyl)methylamino]benzonitrile
CID 106120182
3-amino-4-(thian-4-ylmethylamino)benzonitrile
CID 113487266
4-chloro-2-(cyclobutylmethylamino)-1,3-thiazole-5-carbonitrile
CID 106595137
5-amino-2-(cyclopentylmethylamino)benzonitrile
CID 61296175
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide
CID 103507144
5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
CID 103467539
1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone
CID 114098802

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile (CID 103424676) is 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile is N#Cc1sc(NCC2CC2)cc1N.
What is the InChIKey of 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile?
The InChIKey is RMAGLDRKDQATBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c10-4-8-7(11)3-9(13-8)12-5-6-1-2-6/h3,6,12H,1-2,5,11H2.
What are the key properties of 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile?
3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile has a molecular weight of 193.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 103424676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).