(2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol

C9H17NS — CID 143022527

IUPAC(2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol
SMILESC=C/C=C(\S)CN(C)CCC
InChIInChI=1S/C9H17NS/c1-4-6-9(11)8-10(3)7-5-2/h4,6,11H,1,5,7-8H2,2-3H3/b9-6-
InChIKeyRWHDUZVRNSCTFA-TWGQIWQCSA-N
MW171.31 g/mol
LogP2.33
Rot. Bonds5

About (2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol

(2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol (PubChem CID 143022527) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is (2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol.

Molecular Properties

Compound Name(2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol
PubChem CID143022527
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name(2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol
SMILESC=C/C=C(\S)CN(C)CCC
InChIInChI=1S/C9H17NS/c1-4-6-9(11)8-10(3)7-5-2/h4,6,11H,1,5,7-8H2,2-3H3/b9-6-
InChIKeyRWHDUZVRNSCTFA-TWGQIWQCSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-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

(2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine
CID 143803419
N'-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069294
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
ethene;N-ethyl-N-methylpropan-1-amine
CID 153352940
1-[methyl(propyl)amino]pentan-2-ol
CID 62042570
N-methyl-N-propylpent-4-en-1-amine
CID 91551262
2-[methyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]ethanethioic S-acid
CID 87472659
N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911
[methyl(propyl)amino]methyl prop-2-enoate
CID 91333116
(3E,5Z,7E)-3,8-dimethyl-9-[methyl(propyl)amino]nona-3,5,7-trien-2-ol
CID 143017797

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol?
The IUPAC name of (2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol (CID 143022527) is (2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol.
What is the SMILES notation for (2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol?
The canonical SMILES for (2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol is C=C/C=C(\S)CN(C)CCC.
What is the InChIKey of (2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol?
The InChIKey is RWHDUZVRNSCTFA-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H17NS/c1-4-6-9(11)8-10(3)7-5-2/h4,6,11H,1,5,7-8H2,2-3H3/b9-6-.
What are the key properties of (2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol?
(2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol has a molecular weight of 171.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-[methyl(propyl)amino]penta-2,4-diene-2-thiol is sourced from PubChem (CID 143022527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).