(3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine

C12H21N3S — CID 72890994

IUPAC(3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCCC[C@H]1CN(c2nccs2)C[C@@H]1N(C)C
InChIInChI=1S/C12H21N3S/c1-4-5-10-8-15(9-11(10)14(2)3)12-13-6-7-16-12/h6-7,10-11H,4-5,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyIPWQUECMOBIZNN-QWRGUYRKSA-N
MW239.39 g/mol
LogP2.31
Rot. Bonds4

About (3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine

(3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine (PubChem CID 72890994) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is (3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine
PubChem CID72890994
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name(3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCCC[C@H]1CN(c2nccs2)C[C@@H]1N(C)C
InChIInChI=1S/C12H21N3S/c1-4-5-10-8-15(9-11(10)14(2)3)12-13-6-7-16-12/h6-7,10-11H,4-5,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyIPWQUECMOBIZNN-QWRGUYRKSA-N
XLogP2.31
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine (CID 72890994) is (3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine is CCC[C@H]1CN(c2nccs2)C[C@@H]1N(C)C.
What is the InChIKey of (3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The InChIKey is IPWQUECMOBIZNN-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-5-10-8-15(9-11(10)14(2)3)12-13-6-7-16-12/h6-7,10-11H,4-5,8-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
(3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine has a molecular weight of 239.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N,N-dimethyl-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 72890994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).