3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol

C10H21NS — CID 166138354

IUPAC3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol
SMILESCC(C)C(C)(S)[C@H]1CCCN1C
InChIInChI=1S/C10H21NS/c1-8(2)10(3,12)9-6-5-7-11(9)4/h8-9,12H,5-7H2,1-4H3/t9-,10?/m1/s1
InChIKeyNDFPKLXRIZSXJE-YHMJZVADSA-N
MW187.35 g/mol
LogP2.43
Rot. Bonds2

About 3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol

3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol (PubChem CID 166138354) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol.

Molecular Properties

Compound Name3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol
PubChem CID166138354
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol
SMILESCC(C)C(C)(S)[C@H]1CCCN1C
InChIInChI=1S/C10H21NS/c1-8(2)10(3,12)9-6-5-7-11(9)4/h8-9,12H,5-7H2,1-4H3/t9-,10?/m1/s1
InChIKeyNDFPKLXRIZSXJE-YHMJZVADSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine
CID 166767172
N-methyl-2-(1-methylpyrrolidin-2-yl)propan-2-amine
CID 84650456
2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine
CID 155794041
2-methoxy-2,3-dimethylbutane;1-methyl-2-propan-2-ylpyrrolidine
CID 172575783
2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine
CID 156743098
2-(3-methoxypentan-3-yl)-1-methylpyrrolidine
CID 89390542
2-methyl-2-[(2R)-1-methylpiperidin-2-yl]propanoic acid
CID 66887633
3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one
CID 58834330
1-methyl-2-(2-methylpentan-2-yl)piperidine
CID 57185031
2-methyl-2-[(2S)-1-methylpiperidin-2-yl]propanoic acid
CID 66889115
(5,6-diethyl-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanedithiol
CID 170972520
2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol
CID 72560293

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol?
The IUPAC name of 3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol (CID 166138354) is 3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol.
What is the SMILES notation for 3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol?
The canonical SMILES for 3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol is CC(C)C(C)(S)[C@H]1CCCN1C.
What is the InChIKey of 3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol?
The InChIKey is NDFPKLXRIZSXJE-YHMJZVADSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)10(3,12)9-6-5-7-11(9)4/h8-9,12H,5-7H2,1-4H3/t9-,10?/m1/s1.
What are the key properties of 3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol?
3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol has a molecular weight of 187.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]butane-2-thiol is sourced from PubChem (CID 166138354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).