(3S)-1-(thian-4-yl)pyrrolidin-3-amine

C9H18N2S — CID 94339867

IUPAC(3S)-1-(thian-4-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(C2CCSCC2)C1
InChIInChI=1S/C9H18N2S/c10-8-1-4-11(7-8)9-2-5-12-6-3-9/h8-9H,1-7,10H2/t8-/m0/s1
InChIKeyOJYYIMPUUFWQID-QMMMGPOBSA-N
MW186.32 g/mol
LogP0.92
Rot. Bonds1

About (3S)-1-(thian-4-yl)pyrrolidin-3-amine

(3S)-1-(thian-4-yl)pyrrolidin-3-amine (PubChem CID 94339867) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is (3S)-1-(thian-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(thian-4-yl)pyrrolidin-3-amine
PubChem CID94339867
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name(3S)-1-(thian-4-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(C2CCSCC2)C1
InChIInChI=1S/C9H18N2S/c10-8-1-4-11(7-8)9-2-5-12-6-3-9/h8-9H,1-7,10H2/t8-/m0/s1
InChIKeyOJYYIMPUUFWQID-QMMMGPOBSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(thian-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(thian-4-yl)pyrrolidin-3-amine (CID 94339867) is (3S)-1-(thian-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(thian-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(thian-4-yl)pyrrolidin-3-amine is N[C@H]1CCN(C2CCSCC2)C1.
What is the InChIKey of (3S)-1-(thian-4-yl)pyrrolidin-3-amine?
The InChIKey is OJYYIMPUUFWQID-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2S/c10-8-1-4-11(7-8)9-2-5-12-6-3-9/h8-9H,1-7,10H2/t8-/m0/s1.
What are the key properties of (3S)-1-(thian-4-yl)pyrrolidin-3-amine?
(3S)-1-(thian-4-yl)pyrrolidin-3-amine has a molecular weight of 186.32 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(thian-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 94339867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).