(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

C16H22N2OS — CID 9453091

IUPAC(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)s1
InChIInChI=1S/C16H22N2OS/c1-13-6-7-14(20-13)11-17-12-15(16-5-4-10-19-16)18-8-2-3-9-18/h4-7,10,15,17H,2-3,8-9,11-12H2,1H3/t15-/m0/s1
InChIKeyCVRHOUDUEACLQT-HNNXBMFYSA-N
MW290.43 g/mol
LogP3.58
Rot. Bonds6

About (2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 9453091) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID9453091
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)s1
InChIInChI=1S/C16H22N2OS/c1-13-6-7-14(20-13)11-17-12-15(16-5-4-10-19-16)18-8-2-3-9-18/h4-7,10,15,17H,2-3,8-9,11-12H2,1H3/t15-/m0/s1
InChIKeyCVRHOUDUEACLQT-HNNXBMFYSA-N
XLogP3.58
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43181232
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 64539505
(2R)-2-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 51627380
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 17483105
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 43181246
N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43081423
4-[[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methyl]phenol
CID 43181226
(2R)-2-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 93257792
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 104878381
N-[(4-ethoxyphenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 78805253

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of (2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 9453091) is (2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for (2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for (2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is Cc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)s1.
What is the InChIKey of (2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is CVRHOUDUEACLQT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-13-6-7-14(20-13)11-17-12-15(16-5-4-10-19-16)18-8-2-3-9-18/h4-7,10,15,17H,2-3,8-9,11-12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 9453091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).