4-methyl-1-(thian-4-yl)pent-3-en-2-amine

C11H21NS — CID 105163322

IUPAC4-methyl-1-(thian-4-yl)pent-3-en-2-amine
SMILESCC(C)=CC(N)CC1CCSCC1
InChIInChI=1S/C11H21NS/c1-9(2)7-11(12)8-10-3-5-13-6-4-10/h7,10-11H,3-6,8,12H2,1-2H3
InChIKeyZPLFDGISSUHGEF-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.81
Rot. Bonds3

About 4-methyl-1-(thian-4-yl)pent-3-en-2-amine

4-methyl-1-(thian-4-yl)pent-3-en-2-amine (PubChem CID 105163322) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 4-methyl-1-(thian-4-yl)pent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-(thian-4-yl)pent-3-en-2-amine
PubChem CID105163322
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name4-methyl-1-(thian-4-yl)pent-3-en-2-amine
SMILESCC(C)=CC(N)CC1CCSCC1
InChIInChI=1S/C11H21NS/c1-9(2)7-11(12)8-10-3-5-13-6-4-10/h7,10-11H,3-6,8,12H2,1-2H3
InChIKeyZPLFDGISSUHGEF-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-1-(thian-4-yl)pent-3-en-2-amine 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

2,6-Dimethyl-3-(5-methylthiolan-2-yl)cyclohex-3-en-1-amine
CID 71166149
(3S)-5-methyl-4-methylidene-1-methylsulfanylheptan-3-amine
CID 88562379
2,3,3a,4,5,6-Hexahydro-1-benzothiophen-6-amine
CID 89073748
7-Methyl-2,3,5,6,7,7a-hexahydro-1-benzothiophen-6-amine
CID 89153960
3-(5-Butylsulfanylcyclohexa-1,5-dien-1-yl)butan-1-amine
CID 91333753
(1S,5R)-2-but-1-en-2-ylsulfanyl-5-methylcyclohex-3-en-1-amine
CID 137432486
(3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine
CID 142196107
Ethane;2-methyl-1-(3-methylthian-2-yl)prop-2-en-1-amine
CID 143782987
5-Methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine
CID 174283107
2-(Methylsulfanylmethyl)cyclohex-2-en-1-amine
CID 174353261
2-(Ethylsulfanylmethyl)cyclohex-2-en-1-amine
CID 174353262
N-(cyclohex-3-en-1-ylmethyl)-2-methylthian-3-amine
CID 79956692

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(thian-4-yl)pent-3-en-2-amine?
The IUPAC name of 4-methyl-1-(thian-4-yl)pent-3-en-2-amine (CID 105163322) is 4-methyl-1-(thian-4-yl)pent-3-en-2-amine.
What is the SMILES notation for 4-methyl-1-(thian-4-yl)pent-3-en-2-amine?
The canonical SMILES for 4-methyl-1-(thian-4-yl)pent-3-en-2-amine is CC(C)=CC(N)CC1CCSCC1.
What is the InChIKey of 4-methyl-1-(thian-4-yl)pent-3-en-2-amine?
The InChIKey is ZPLFDGISSUHGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9(2)7-11(12)8-10-3-5-13-6-4-10/h7,10-11H,3-6,8,12H2,1-2H3.
What are the key properties of 4-methyl-1-(thian-4-yl)pent-3-en-2-amine?
4-methyl-1-(thian-4-yl)pent-3-en-2-amine has a molecular weight of 199.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(thian-4-yl)pent-3-en-2-amine is sourced from PubChem (CID 105163322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).