3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine

C10H19NS — CID 174023726

IUPAC3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine
SMILESCC(C)C1=CS[C@H]1C(C)CCN
InChIInChI=1S/C10H19NS/c1-7(2)9-6-12-10(9)8(3)4-5-11/h6-8,10H,4-5,11H2,1-3H3/t8?,10-/m0/s1
InChIKeyGCEYOQAQCBYAEN-HTLJXXAVSA-N
MW185.34 g/mol
LogP2.63
Rot. Bonds4

About 3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine

3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine (PubChem CID 174023726) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine
PubChem CID174023726
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine
SMILESCC(C)C1=CS[C@H]1C(C)CCN
InChIInChI=1S/C10H19NS/c1-7(2)9-6-12-10(9)8(3)4-5-11/h6-8,10H,4-5,11H2,1-3H3/t8?,10-/m0/s1
InChIKeyGCEYOQAQCBYAEN-HTLJXXAVSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine?
The IUPAC name of 3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine (CID 174023726) is 3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine.
What is the SMILES notation for 3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine?
The canonical SMILES for 3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine is CC(C)C1=CS[C@H]1C(C)CCN.
What is the InChIKey of 3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine?
The InChIKey is GCEYOQAQCBYAEN-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H19NS/c1-7(2)9-6-12-10(9)8(3)4-5-11/h6-8,10H,4-5,11H2,1-3H3/t8?,10-/m0/s1.
What are the key properties of 3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine?
3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-propan-2-yl-2H-thiet-2-yl]butan-1-amine is sourced from PubChem (CID 174023726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).