(1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol

C10H19NOS2 — CID 10988172

IUPAC(1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESC[C@](O)(C1SCCCS1)[C@@H]1CCCN1
InChIInChI=1S/C10H19NOS2/c1-10(12,8-4-2-5-11-8)9-13-6-3-7-14-9/h8-9,11-12H,2-7H2,1H3/t8-,10+/m0/s1
InChIKeyPIGCMKSRSWAAFH-WCBMZHEXSA-N
MW233.40 g/mol
LogP1.69
Rot. Bonds2

About (1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol

(1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol (PubChem CID 10988172) has the molecular formula C10H19NOS2 and a molecular weight of 233.40 g/mol. Its IUPAC name is (1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
PubChem CID10988172
Molecular FormulaC10H19NOS2
Molecular Weight233.40 g/mol
Exact Mass233.09
IUPAC Name(1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESC[C@](O)(C1SCCCS1)[C@@H]1CCCN1
InChIInChI=1S/C10H19NOS2/c1-10(12,8-4-2-5-11-8)9-13-6-3-7-14-9/h8-9,11-12H,2-7H2,1H3/t8-,10+/m0/s1
InChIKeyPIGCMKSRSWAAFH-WCBMZHEXSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-(1-ethylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 148715634
(1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155010690
(R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol
CID 155141445
3-[(Propan-2-ylamino)methyl]thian-3-ol
CID 177955386
(2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 10901592
1-[(Thian-4-ylamino)methyl]cyclopentan-1-ol
CID 63932057
1-[(Thian-3-ylamino)methyl]cyclopentan-1-ol
CID 65107010
1-{[(Thiolan-3-yl)amino]methyl}cyclohexan-1-ol
CID 65107483
2,4-Dimethyl-1-(thian-3-ylamino)pentan-2-ol
CID 66179101
2,4-Dimethyl-1-(thiolan-3-ylamino)pentan-2-ol
CID 66179172
2,4-Dimethyl-1-(thian-4-ylamino)pentan-2-ol
CID 66179891
5,5-Dimethyl-3-pyrrolidin-2-ylthian-3-ol
CID 79947105

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol (CID 10988172) is (1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol is C[C@](O)(C1SCCCS1)[C@@H]1CCCN1.
What is the InChIKey of (1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The InChIKey is PIGCMKSRSWAAFH-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H19NOS2/c1-10(12,8-4-2-5-11-8)9-13-6-3-7-14-9/h8-9,11-12H,2-7H2,1H3/t8-,10+/m0/s1.
What are the key properties of (1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
(1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol has a molecular weight of 233.40 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 10988172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).