(Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione

C9H19NSSi — CID 165034804

IUPAC(Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione
SMILESCC(=S)/C=C(/C)N(C[SiH3])C(C)C
InChIInChI=1S/C9H19NSSi/c1-7(2)10(6-12)8(3)5-9(4)11/h5,7H,6H2,1-4,12H3/b8-5-
InChIKeyGGPGIDUVAKDAKO-YVMONPNESA-N
MW201.41 g/mol
LogP1.31
Rot. Bonds4

About (Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione

(Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione (PubChem CID 165034804) has the molecular formula C9H19NSSi and a molecular weight of 201.41 g/mol. Its IUPAC name is (Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione.

Molecular Properties

Compound Name(Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione
PubChem CID165034804
Molecular FormulaC9H19NSSi
Molecular Weight201.41 g/mol
Exact Mass201.10
IUPAC Name(Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione
SMILESCC(=S)/C=C(/C)N(C[SiH3])C(C)C
InChIInChI=1S/C9H19NSSi/c1-7(2)10(6-12)8(3)5-9(4)11/h5,7H,6H2,1-4,12H3/b8-5-
InChIKeyGGPGIDUVAKDAKO-YVMONPNESA-N
XLogP1.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.41
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione 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

N-methyl-N-(silylmethyl)ethanethioamide
CID 164985066
N-tert-butyl-N-(silylmethyl)ethanethioamide
CID 164985073
O-ethyl N-propan-2-yl-N-prop-2-enylcarbamothioate
CID 175747241
N-chloro-N-propan-2-ylethanethioamide
CID 155426886
N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine
CID 134179329
N-ethyl-3-methyl-N-propan-2-ylbutanethioamide
CID 91178323
N-ethanethioyl-N-propan-2-ylpropanamide
CID 175620978
2-methyl-N,N-di(propan-2-yl)prop-1-en-1-amine
CID 4278481
(3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine
CID 129213118
4-(ethylamino)pent-3-ene-2-thione
CID 72728390
(2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine
CID 139397588
N-ethyl-N-prop-1-en-2-ylbutan-2-amine
CID 143392263

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione?
The IUPAC name of (Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione (CID 165034804) is (Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione.
What is the SMILES notation for (Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione?
The canonical SMILES for (Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione is CC(=S)/C=C(/C)N(C[SiH3])C(C)C.
What is the InChIKey of (Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione?
The InChIKey is GGPGIDUVAKDAKO-YVMONPNESA-N. The full InChI is InChI=1S/C9H19NSSi/c1-7(2)10(6-12)8(3)5-9(4)11/h5,7H,6H2,1-4,12H3/b8-5-.
What are the key properties of (Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione?
(Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione has a molecular weight of 201.41 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[propan-2-yl(silylmethyl)amino]pent-3-ene-2-thione is sourced from PubChem (CID 165034804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).