(3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine

C11H22N2S — CID 758325

IUPAC(3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine
SMILESC1CCN(CCN[C@H]2CCSC2)CC1
InChIInChI=1S/C11H22N2S/c1-2-6-13(7-3-1)8-5-12-11-4-9-14-10-11/h11-12H,1-10H2/t11-/m0/s1
InChIKeySFTWTHVKSGANSI-NSHDSACASA-N
MW214.38 g/mol
LogP1.57
Rot. Bonds4

About (3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine

(3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine (PubChem CID 758325) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is (3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine
PubChem CID758325
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name(3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine
SMILESC1CCN(CCN[C@H]2CCSC2)CC1
InChIInChI=1S/C11H22N2S/c1-2-6-13(7-3-1)8-5-12-11-4-9-14-10-11/h11-12H,1-10H2/t11-/m0/s1
InChIKeySFTWTHVKSGANSI-NSHDSACASA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
CID 43181582
(3R)-N-(2-piperidin-1-ylethyl)thian-3-amine
CID 94887182
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
N-(2-methyl-3-piperidin-1-ylpropyl)thiolan-3-amine
CID 61020549
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one
CID 115717983
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine?
The IUPAC name of (3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine (CID 758325) is (3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine.
What is the SMILES notation for (3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine?
The canonical SMILES for (3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine is C1CCN(CCN[C@H]2CCSC2)CC1.
What is the InChIKey of (3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine?
The InChIKey is SFTWTHVKSGANSI-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2S/c1-2-6-13(7-3-1)8-5-12-11-4-9-14-10-11/h11-12H,1-10H2/t11-/m0/s1.
What are the key properties of (3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine?
(3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine has a molecular weight of 214.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine is sourced from PubChem (CID 758325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).