(2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol

C10H21NOS3 — CID 10901592

IUPAC(2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
SMILESCSC(SC)(SC)[C@](C)(O)[C@@H]1CCCN1
InChIInChI=1S/C10H21NOS3/c1-9(12,8-6-5-7-11-8)10(13-2,14-3)15-4/h8,11-12H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyFAGNUSLTTATSJC-DTWKUNHWSA-N
MW267.48 g/mol
LogP2.23
Rot. Bonds5

About (2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol

(2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol (PubChem CID 10901592) has the molecular formula C10H21NOS3 and a molecular weight of 267.48 g/mol. Its IUPAC name is (2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
PubChem CID10901592
Molecular FormulaC10H21NOS3
Molecular Weight267.48 g/mol
Exact Mass267.08
IUPAC Name(2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
SMILESCSC(SC)(SC)[C@](C)(O)[C@@H]1CCCN1
InChIInChI=1S/C10H21NOS3/c1-9(12,8-6-5-7-11-8)10(13-2,14-3)15-4/h8,11-12H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyFAGNUSLTTATSJC-DTWKUNHWSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methylsulfanyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 146253505
2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane
CID 160802036
sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 160802037
(1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 10988172
2,4-Dimethyl-1-(thiolan-3-ylamino)pentan-2-ol
CID 66179172
3-[1-(Ethylamino)ethyl]-5-methylthiolan-3-ol
CID 79949211
1-[[(5-Methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol
CID 79949971
2,4-Dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol
CID 79950212
5-Methyl-3-pyrrolidin-2-ylthiolan-3-ol
CID 79950769
2-Methyl-3-pyrrolidin-2-ylthian-3-ol
CID 79951074
2-Methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol
CID 80727070
2-Methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol
CID 102672150

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of (2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol (CID 10901592) is (2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol is CSC(SC)(SC)[C@](C)(O)[C@@H]1CCCN1.
What is the InChIKey of (2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The InChIKey is FAGNUSLTTATSJC-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H21NOS3/c1-9(12,8-6-5-7-11-8)10(13-2,14-3)15-4/h8,11-12H,5-7H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
(2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol has a molecular weight of 267.48 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 10901592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).