3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen

C13H31NS — CID 143680289

IUPAC3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen
SMILESC=CC1=C(S)CCC1N.CC.CC.CC.[H][H]
InChIInChI=1S/C7H11NS.3C2H6.H2/c1-2-5-6(8)3-4-7(5)9;3*1-2;/h2,6,9H,1,3-4,8H2;3*1-2H3;1H
InChIKeyDZFUZZKHHNYELF-UHFFFAOYSA-N
MW233.46 g/mol
LogP4.80
Rot. Bonds1

About 3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen

3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen (PubChem CID 143680289) has the molecular formula C13H31NS and a molecular weight of 233.46 g/mol. Its IUPAC name is 3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen.

Molecular Properties

Compound Name3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen
PubChem CID143680289
Molecular FormulaC13H31NS
Molecular Weight233.46 g/mol
Exact Mass233.22
IUPAC Name3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen
SMILESC=CC1=C(S)CCC1N.CC.CC.CC.[H][H]
InChIInChI=1S/C7H11NS.3C2H6.H2/c1-2-5-6(8)3-4-7(5)9;3*1-2;/h2,6,9H,1,3-4,8H2;3*1-2H3;1H
InChIKeyDZFUZZKHHNYELF-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.46
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen 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

ethene;2-ethenyl-3-methylcyclopent-2-en-1-amine
CID 142463301
(2E)-2-ethylidene-3-methylidenecyclopentan-1-amine
CID 143343692
5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine
CID 123877582
[4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane
CID 171496799
6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane
CID 142832995
3-amino-2-methylcyclopentene-1-carbodithioic acid
CID 118224559
(1R)-2,3-bis(ethenyl)cyclohex-2-en-1-ol;ethane;fluoromethane
CID 143947837
4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one
CID 130040392
2,3-bis(ethenyl)-6-propan-2-ylcyclohex-2-en-1-ol;ethane
CID 145337905
1,2-bis(ethenyl)-3-propan-2-ylcyclopentene
CID 157035883
1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene
CID 154692074
ethane;3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143411990

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen?
The IUPAC name of 3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen (CID 143680289) is 3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen.
What is the SMILES notation for 3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen?
The canonical SMILES for 3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen is C=CC1=C(S)CCC1N.CC.CC.CC.[H][H].
What is the InChIKey of 3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen?
The InChIKey is DZFUZZKHHNYELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.3C2H6.H2/c1-2-5-6(8)3-4-7(5)9;3*1-2;/h2,6,9H,1,3-4,8H2;3*1-2H3;1H.
What are the key properties of 3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen?
3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen has a molecular weight of 233.46 g/mol, XLogP of 4.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen is sourced from PubChem (CID 143680289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).