(2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine

C9H17NS2 — CID 643431

IUPAC(2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine
SMILESC1CC[C@@H](CC2SCCS2)NC1
InChIInChI=1S/C9H17NS2/c1-2-4-10-8(3-1)7-9-11-5-6-12-9/h8-10H,1-7H2/t8-/m0/s1
InChIKeyBYAAAENIHWBQIZ-QMMMGPOBSA-N
MW203.38 g/mol
LogP2.32
Rot. Bonds2

About (2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine

(2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine (PubChem CID 643431) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is (2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine
PubChem CID643431
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name(2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine
SMILESC1CC[C@@H](CC2SCCS2)NC1
InChIInChI=1S/C9H17NS2/c1-2-4-10-8(3-1)7-9-11-5-6-12-9/h8-10H,1-7H2/t8-/m0/s1
InChIKeyBYAAAENIHWBQIZ-QMMMGPOBSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidine
CID 11041899
1,4-Dithia-8-azaspiro[4.5]decane
CID 12954120
2-Methyl-1,4-dithia-8-azaspiro[4.5]decane
CID 123622313
(7R,9R)-9-nonyl-7-(trifluoromethyl)-1,4-dithia-8-azaspiro[4.5]decane
CID 16080242
1,3,5-Dithiazine, perhydro-2,4-dimethyl-6-pentyl
CID 528749
2,3-Dimethyl-1,4-dithia-8-azaspiro[4.5]decane
CID 134716140
N-butan-2-yl-1-(1,3-dithian-2-yl)hexan-2-amine
CID 134941715
1,3,5-Dithiazine, 4-butyl-2-mehyl-6-pentyl
CID 528748
1,3,5-Dithiazine, perhydro-4-methyl-6-pentyl-2-propyl
CID 528751
6,7-Dimethyl-1,4-dithia-8-aza-spiro[4.5]decane
CID 6420750
2-(1,3-Dithiolan-2-ylmethyl)piperidine
CID 11805804
2-(1,3-Dithian-2-yl)pyrrolidine
CID 14562332

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine?
The IUPAC name of (2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine (CID 643431) is (2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine.
What is the SMILES notation for (2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine?
The canonical SMILES for (2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine is C1CC[C@@H](CC2SCCS2)NC1.
What is the InChIKey of (2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine?
The InChIKey is BYAAAENIHWBQIZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NS2/c1-2-4-10-8(3-1)7-9-11-5-6-12-9/h8-10H,1-7H2/t8-/m0/s1.
What are the key properties of (2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine?
(2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine has a molecular weight of 203.38 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dithiolan-2-ylmethyl)piperidine is sourced from PubChem (CID 643431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).