4-methyl-1-(methylamino)hexane-3-thiol

C8H19NS — CID 91321909

IUPAC4-methyl-1-(methylamino)hexane-3-thiol
SMILESCCC(C)C(S)CCNC
InChIInChI=1S/C8H19NS/c1-4-7(2)8(10)5-6-9-3/h7-10H,4-6H2,1-3H3
InChIKeyONDDDXHRQISCKM-UHFFFAOYSA-N
MW161.31 g/mol
LogP1.94
Rot. Bonds5

About 4-methyl-1-(methylamino)hexane-3-thiol

4-methyl-1-(methylamino)hexane-3-thiol (PubChem CID 91321909) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 4-methyl-1-(methylamino)hexane-3-thiol.

Molecular Properties

Compound Name4-methyl-1-(methylamino)hexane-3-thiol
PubChem CID91321909
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name4-methyl-1-(methylamino)hexane-3-thiol
SMILESCCC(C)C(S)CCNC
InChIInChI=1S/C8H19NS/c1-4-7(2)8(10)5-6-9-3/h7-10H,4-6H2,1-3H3
InChIKeyONDDDXHRQISCKM-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 51.94
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

(3S)-3-amino-5-methyl-1-(3-methylbutylamino)hexane-2-thiol
CID 57319198
(3R)-3-amino-5-methyl-1-(3-methylbutylamino)hexane-2-thiol
CID 54068911
2-Hexylaminoethanethiol
CID 201386
4-Methyl-2-(methylamino)pentane-1-thiol
CID 15159720
Ethanethiol, 2-(1,3-dimethylbutyl)amino-, hydrogen sulfate (ester)
CID 209863
1-[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]ethanethiol
CID 163547590
3-(1,5,9-Triazacyclododec-3-yl)propane-1-thiol
CID 91496394
2-(4-Cyclopentylbutylamino)ethanethiol
CID 217522
2-(3-Cyclohexylpropylamino)ethanethiol
CID 217524
2-(4-Cyclohexylbutylamino)ethanethiol
CID 217528
3-(Hexylamino)propane-1-thiol
CID 20203406
2-(2-Cyclohexylethylamino)ethanethiol
CID 22723262

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(methylamino)hexane-3-thiol?
The IUPAC name of 4-methyl-1-(methylamino)hexane-3-thiol (CID 91321909) is 4-methyl-1-(methylamino)hexane-3-thiol.
What is the SMILES notation for 4-methyl-1-(methylamino)hexane-3-thiol?
The canonical SMILES for 4-methyl-1-(methylamino)hexane-3-thiol is CCC(C)C(S)CCNC.
What is the InChIKey of 4-methyl-1-(methylamino)hexane-3-thiol?
The InChIKey is ONDDDXHRQISCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-4-7(2)8(10)5-6-9-3/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-methyl-1-(methylamino)hexane-3-thiol?
4-methyl-1-(methylamino)hexane-3-thiol has a molecular weight of 161.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(methylamino)hexane-3-thiol is sourced from PubChem (CID 91321909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).