5-(methylamino)hex-5-ene-2-thiol

C7H15NS — CID 134365108

IUPAC5-(methylamino)hex-5-ene-2-thiol
SMILESC=C(CCC(C)S)NC
InChIInChI=1S/C7H15NS/c1-6(8-3)4-5-7(2)9/h7-9H,1,4-5H2,2-3H3
InChIKeyXQXHOHVAJUDEQK-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.82
Rot. Bonds4

About 5-(methylamino)hex-5-ene-2-thiol

5-(methylamino)hex-5-ene-2-thiol (PubChem CID 134365108) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 5-(methylamino)hex-5-ene-2-thiol.

Molecular Properties

Compound Name5-(methylamino)hex-5-ene-2-thiol
PubChem CID134365108
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name5-(methylamino)hex-5-ene-2-thiol
SMILESC=C(CCC(C)S)NC
InChIInChI=1S/C7H15NS/c1-6(8-3)4-5-7(2)9/h7-9H,1,4-5H2,2-3H3
InChIKeyXQXHOHVAJUDEQK-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylamino)pent-4-ene-1-thiol
CID 58262283
N-methylhex-1-en-2-amine
CID 88274545
(Z)-3-methyl-2-(methylamino)but-1-ene-1-thiol
CID 88276482
(Z)-2-(methylamino)but-1-ene-1-thiol
CID 88978512
(Z)-2-(ethylamino)but-1-ene-1-thiol
CID 89196747
N-methyl-1-(thiolan-2-yl)ethenamine
CID 129141689
4-(Methylamino)pent-4-ene-2-thione
CID 132148946
3-(Methylamino)but-3-ene-2-thiol
CID 135267600
(But-1-en-2-ylamino)methanethiol
CID 139388026
N-methyl-3-methylsulfanylpent-1-en-2-amine
CID 139470205
2-Methylidenepiperidine-4-thiol;hydrochloride
CID 141013805
2-Methylidenepiperidine-4-thiol
CID 141013806

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)hex-5-ene-2-thiol?
The IUPAC name of 5-(methylamino)hex-5-ene-2-thiol (CID 134365108) is 5-(methylamino)hex-5-ene-2-thiol.
What is the SMILES notation for 5-(methylamino)hex-5-ene-2-thiol?
The canonical SMILES for 5-(methylamino)hex-5-ene-2-thiol is C=C(CCC(C)S)NC.
What is the InChIKey of 5-(methylamino)hex-5-ene-2-thiol?
The InChIKey is XQXHOHVAJUDEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(8-3)4-5-7(2)9/h7-9H,1,4-5H2,2-3H3.
What are the key properties of 5-(methylamino)hex-5-ene-2-thiol?
5-(methylamino)hex-5-ene-2-thiol has a molecular weight of 145.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)hex-5-ene-2-thiol is sourced from PubChem (CID 134365108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).