(1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane

C13H33NOS2Si — CID 167554400

IUPAC(1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane
SMILESCC(C)[Si](C)(C[C@@H](O)[C@@H]1CCCN1)C(C)C.S.S
InChIInChI=1S/C13H29NOSi.2H2S/c1-10(2)16(5,11(3)4)9-13(15)12-7-6-8-14-12;;/h10-15H,6-9H2,1-5H3;2*1H2/t12-,13+;;/m0../s1
InChIKeyCUZYPNMGGWDXLQ-CQSOCPNPSA-N
MW311.63 g/mol
LogP3.22
Rot. Bonds5

About (1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane

(1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane (PubChem CID 167554400) has the molecular formula C13H33NOS2Si and a molecular weight of 311.63 g/mol. Its IUPAC name is (1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane.

Molecular Properties

Compound Name(1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane
PubChem CID167554400
Molecular FormulaC13H33NOS2Si
Molecular Weight311.63 g/mol
Exact Mass311.18
IUPAC Name(1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane
SMILESCC(C)[Si](C)(C[C@@H](O)[C@@H]1CCCN1)C(C)C.S.S
InChIInChI=1S/C13H29NOSi.2H2S/c1-10(2)16(5,11(3)4)9-13(15)12-7-6-8-14-12;;/h10-15H,6-9H2,1-5H3;2*1H2/t12-,13+;;/m0../s1
InChIKeyCUZYPNMGGWDXLQ-CQSOCPNPSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.63
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane 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

(1S)-2-amino-1-pyrrolidin-2-ylethanol
CID 155010732
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
(1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol
CID 154603507
(1R)-2-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485490
1-pyrrolidin-2-ylbut-3-en-1-ol
CID 72814698
2-methoxy-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 164662041
(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 155141506
(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485657
(1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 142507527
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
(1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol
CID 138485429
1-(azepan-2-yl)ethane-1,2-diol
CID 115006977

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane?
The IUPAC name of (1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane (CID 167554400) is (1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane.
What is the SMILES notation for (1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane?
The canonical SMILES for (1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane is CC(C)[Si](C)(C[C@@H](O)[C@@H]1CCCN1)C(C)C.S.S.
What is the InChIKey of (1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane?
The InChIKey is CUZYPNMGGWDXLQ-CQSOCPNPSA-N. The full InChI is InChI=1S/C13H29NOSi.2H2S/c1-10(2)16(5,11(3)4)9-13(15)12-7-6-8-14-12;;/h10-15H,6-9H2,1-5H3;2*1H2/t12-,13+;;/m0../s1.
What are the key properties of (1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane?
(1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane has a molecular weight of 311.63 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane is sourced from PubChem (CID 167554400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).