4-(pyrrolidin-1-ylmethyl)thian-4-ol

C10H19NOS — CID 84733860

IUPAC4-(pyrrolidin-1-ylmethyl)thian-4-ol
SMILESOC1(CN2CCCC2)CCSCC1
InChIInChI=1S/C10H19NOS/c12-10(3-7-13-8-4-10)9-11-5-1-2-6-11/h12H,1-9H2
InChIKeyCMPZAKVBCCUXJF-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.34
Rot. Bonds2

About 4-(pyrrolidin-1-ylmethyl)thian-4-ol

4-(pyrrolidin-1-ylmethyl)thian-4-ol (PubChem CID 84733860) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylmethyl)thian-4-ol.

Molecular Properties

Compound Name4-(pyrrolidin-1-ylmethyl)thian-4-ol
PubChem CID84733860
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name4-(pyrrolidin-1-ylmethyl)thian-4-ol
SMILESOC1(CN2CCCC2)CCSCC1
InChIInChI=1S/C10H19NOS/c12-10(3-7-13-8-4-10)9-11-5-1-2-6-11/h12H,1-9H2
InChIKeyCMPZAKVBCCUXJF-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-(thian-4-yl)pyrrolidin-3-ol
CID 83686698
4-[(Dimethylamino)methyl]thian-4-ol
CID 84732088
4-(Azetidin-1-ylmethyl)thian-4-ol
CID 84732871
3-(Pyrrolidin-1-ylmethyl)thiolan-3-ol
CID 84732873
3-(Diethylaminomethyl)thiolan-3-ol
CID 84732966
3-(Pyrrolidin-1-ylmethyl)thian-3-ol
CID 84733862
3-(Piperidin-1-ylmethyl)thiolan-3-ol
CID 84733863
4-(2-Pyrrolidin-1-ylethyl)thian-4-ol
CID 84734949
4-(Piperidin-1-ylmethyl)thian-4-ol
CID 84734950
3-(2-Pyrrolidin-1-ylethyl)thian-3-ol
CID 84734951
3-(2-Piperidin-1-ylethyl)thiolan-3-ol
CID 84734953
3-[(4-Methylpiperazin-1-yl)methyl]thiolan-3-ol
CID 84735009

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylmethyl)thian-4-ol?
The IUPAC name of 4-(pyrrolidin-1-ylmethyl)thian-4-ol (CID 84733860) is 4-(pyrrolidin-1-ylmethyl)thian-4-ol.
What is the SMILES notation for 4-(pyrrolidin-1-ylmethyl)thian-4-ol?
The canonical SMILES for 4-(pyrrolidin-1-ylmethyl)thian-4-ol is OC1(CN2CCCC2)CCSCC1.
What is the InChIKey of 4-(pyrrolidin-1-ylmethyl)thian-4-ol?
The InChIKey is CMPZAKVBCCUXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c12-10(3-7-13-8-4-10)9-11-5-1-2-6-11/h12H,1-9H2.
What are the key properties of 4-(pyrrolidin-1-ylmethyl)thian-4-ol?
4-(pyrrolidin-1-ylmethyl)thian-4-ol has a molecular weight of 201.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylmethyl)thian-4-ol is sourced from PubChem (CID 84733860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).