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

C7H17NS — CID 116831345

IUPAC4-methyl-3-(methylamino)pentane-1-thiol
SMILESCNC(CCS)C(C)C
InChIInChI=1S/C7H17NS/c1-6(2)7(8-3)4-5-9/h6-9H,4-5H2,1-3H3
InChIKeyGIRIXPTZVXMSLL-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.55
Rot. Bonds4

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

4-methyl-3-(methylamino)pentane-1-thiol (PubChem CID 116831345) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is 4-methyl-3-(methylamino)pentane-1-thiol.

Molecular Properties

Compound Name4-methyl-3-(methylamino)pentane-1-thiol
PubChem CID116831345
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Name4-methyl-3-(methylamino)pentane-1-thiol
SMILESCNC(CCS)C(C)C
InChIInChI=1S/C7H17NS/c1-6(2)7(8-3)4-5-9/h6-9H,4-5H2,1-3H3
InChIKeyGIRIXPTZVXMSLL-UHFFFAOYSA-N
XLogP1.55
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.55
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-N,5-dimethylhexane-1,4-diamine
CID 116949244
5-methyl-4-(methylamino)hexanenitrile
CID 116955242
N,2,6-trimethylhept-6-en-3-amine
CID 114474208
(2R)-3-methyl-2-(methylamino)butan-1-ol
CID 12695789
3,4-dimethylpentane-1-thiol
CID 87431399
2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine
CID 174433909
3,5-dimethyl-4-propan-2-ylhexane-1-thiol
CID 123460007
6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine
CID 104564547
[3-methyl-2-(methylamino)butyl] carbamate
CID 174859482
N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine
CID 107044605
butane-1,3-dithiol
CID 520119
trimethyl(2-sulfanylethyl)phosphanium chloride
CID 88852671

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylamino)pentane-1-thiol?
The IUPAC name of 4-methyl-3-(methylamino)pentane-1-thiol (CID 116831345) is 4-methyl-3-(methylamino)pentane-1-thiol.
What is the SMILES notation for 4-methyl-3-(methylamino)pentane-1-thiol?
The canonical SMILES for 4-methyl-3-(methylamino)pentane-1-thiol is CNC(CCS)C(C)C.
What is the InChIKey of 4-methyl-3-(methylamino)pentane-1-thiol?
The InChIKey is GIRIXPTZVXMSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-6(2)7(8-3)4-5-9/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-methyl-3-(methylamino)pentane-1-thiol?
4-methyl-3-(methylamino)pentane-1-thiol has a molecular weight of 147.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylamino)pentane-1-thiol is sourced from PubChem (CID 116831345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).