(3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride

C9H19ClN2S — CID 130610551

IUPAC(3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(C2CCSCC2)C1
InChIInChI=1S/C9H18N2S.ClH/c10-8-1-4-11(7-8)9-2-5-12-6-3-9;/h8-9H,1-7,10H2;1H/t8-;/m1./s1
InChIKeyZWTUHTWDUOOMPJ-DDWIOCJRSA-N
MW222.78 g/mol
LogP1.34
Rot. Bonds1

About (3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride

(3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride (PubChem CID 130610551) has the molecular formula C9H19ClN2S and a molecular weight of 222.78 g/mol. Its IUPAC name is (3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride
PubChem CID130610551
Molecular FormulaC9H19ClN2S
Molecular Weight222.78 g/mol
Exact Mass222.10
IUPAC Name(3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(C2CCSCC2)C1
InChIInChI=1S/C9H18N2S.ClH/c10-8-1-4-11(7-8)9-2-5-12-6-3-9;/h8-9H,1-7,10H2;1H/t8-;/m1./s1
InChIKeyZWTUHTWDUOOMPJ-DDWIOCJRSA-N
XLogP1.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.78
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride (CID 130610551) is (3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CCN(C2CCSCC2)C1.
What is the InChIKey of (3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is ZWTUHTWDUOOMPJ-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H18N2S.ClH/c10-8-1-4-11(7-8)9-2-5-12-6-3-9;/h8-9H,1-7,10H2;1H/t8-;/m1./s1.
What are the key properties of (3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride?
(3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 222.78 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 130610551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).