(3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride

C8H11ClN2S — CID 171259927

IUPAC(3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride
SMILESCc1ccsc1[C@@H](N)CC#N.Cl
InChIInChI=1S/C8H10N2S.ClH/c1-6-3-5-11-8(6)7(10)2-4-9;/h3,5,7H,2,10H2,1H3;1H/t7-;/m0./s1
InChIKeyLOOXXGMQULUXGF-FJXQXJEOSA-N
MW202.71 g/mol
LogP2.39
Rot. Bonds2

About (3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride

(3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride (PubChem CID 171259927) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is (3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride
PubChem CID171259927
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name(3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride
SMILESCc1ccsc1[C@@H](N)CC#N.Cl
InChIInChI=1S/C8H10N2S.ClH/c1-6-3-5-11-8(6)7(10)2-4-9;/h3,5,7H,2,10H2,1H3;1H/t7-;/m0./s1
InChIKeyLOOXXGMQULUXGF-FJXQXJEOSA-N
XLogP2.39
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-amino-3-(3-bromothiophen-2-yl)propanenitrile
CID 131189229
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293
1-(3-methylthiophen-2-yl)hexan-1-amine;hydrochloride
CID 86262849
(1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171203150
(1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine
CID 171222710
(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064
2,4-diamino-4-(3-methylthiophen-2-yl)butanoic acid
CID 116942752
3-amino-3-(3-methylthiophen-2-yl)propanamide
CID 43147956

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride?
The IUPAC name of (3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride (CID 171259927) is (3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride is Cc1ccsc1[C@@H](N)CC#N.Cl.
What is the InChIKey of (3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride?
The InChIKey is LOOXXGMQULUXGF-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H10N2S.ClH/c1-6-3-5-11-8(6)7(10)2-4-9;/h3,5,7H,2,10H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride?
(3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride has a molecular weight of 202.71 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride is sourced from PubChem (CID 171259927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).