1-amino-2-methylidenebutane-1-thiol

C5H11NS — CID 155305632

IUPAC1-amino-2-methylidenebutane-1-thiol
SMILESC=C(CC)C(N)S
InChIInChI=1S/C5H11NS/c1-3-4(2)5(6)7/h5,7H,2-3,6H2,1H3
InChIKeyCZXNACLPJUWJRM-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.17
Rot. Bonds2

About 1-amino-2-methylidenebutane-1-thiol

1-amino-2-methylidenebutane-1-thiol (PubChem CID 155305632) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 1-amino-2-methylidenebutane-1-thiol.

Molecular Properties

Compound Name1-amino-2-methylidenebutane-1-thiol
PubChem CID155305632
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name1-amino-2-methylidenebutane-1-thiol
SMILESC=C(CC)C(N)S
InChIInChI=1S/C5H11NS/c1-3-4(2)5(6)7/h5,7H,2-3,6H2,1H3
InChIKeyCZXNACLPJUWJRM-UHFFFAOYSA-N
XLogP1.17
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-amino-2-methylidenebutane-1-thiol 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

3-methylidenepentane-2-thiol
CID 57045878
2-fluoro-3-methylidenepentane
CID 89209317
2-bromo-3-methylidenepentane
CID 88691030
(2S,3S)-3-methyl-4-methylidenehexan-2-ol
CID 130747070
3-aminopent-1-ene-2-thiol
CID 153133138
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
5-methylideneheptane-2,4-diol
CID 140987994
2-methyl-5-methylideneheptan-3-amine
CID 66044107
N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride
CID 163929653
ethane;methanamine;2-methylbut-1-ene;2-methylpropane
CID 142055312
(4R)-4-methyl-3-methylideneoctane
CID 10820618
(4R)-5-methylidenehept-1-en-4-ol
CID 130622308

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylidenebutane-1-thiol?
The IUPAC name of 1-amino-2-methylidenebutane-1-thiol (CID 155305632) is 1-amino-2-methylidenebutane-1-thiol.
What is the SMILES notation for 1-amino-2-methylidenebutane-1-thiol?
The canonical SMILES for 1-amino-2-methylidenebutane-1-thiol is C=C(CC)C(N)S.
What is the InChIKey of 1-amino-2-methylidenebutane-1-thiol?
The InChIKey is CZXNACLPJUWJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-3-4(2)5(6)7/h5,7H,2-3,6H2,1H3.
What are the key properties of 1-amino-2-methylidenebutane-1-thiol?
1-amino-2-methylidenebutane-1-thiol has a molecular weight of 117.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylidenebutane-1-thiol is sourced from PubChem (CID 155305632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).