3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol

C10H22N2S — CID 116831489

IUPAC3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol
SMILESCNC(CCS)C1CCCN(C)C1
InChIInChI=1S/C10H22N2S/c1-11-10(5-7-13)9-4-3-6-12(2)8-9/h9-11,13H,3-8H2,1-2H3
InChIKeyTVVXIXHSFNAFBJ-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.24
Rot. Bonds4

About 3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol

3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol (PubChem CID 116831489) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol.

Molecular Properties

Compound Name3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol
PubChem CID116831489
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol
SMILESCNC(CCS)C1CCCN(C)C1
InChIInChI=1S/C10H22N2S/c1-11-10(5-7-13)9-4-3-6-12(2)8-9/h9-11,13H,3-8H2,1-2H3
InChIKeyTVVXIXHSFNAFBJ-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
1-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 103778147
1-(1-propylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426780
1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106427259
2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 106429794
N-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 114187810
N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 114187811
4-Amino-3,5-diethylpiperidine
CID 10307880
2,3,5,6-Tetramethylpiperidin-4-amine
CID 18683863
N'-(1-piperidin-3-ylpropyl)propane-1,3-diamine
CID 20407081
1-(Piperidin-3-yl)propan-1-amine
CID 20407083

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol?
The IUPAC name of 3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol (CID 116831489) is 3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol.
What is the SMILES notation for 3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol?
The canonical SMILES for 3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol is CNC(CCS)C1CCCN(C)C1.
What is the InChIKey of 3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol?
The InChIKey is TVVXIXHSFNAFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-11-10(5-7-13)9-4-3-6-12(2)8-9/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol?
3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol has a molecular weight of 202.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol is sourced from PubChem (CID 116831489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).