[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone

C16H17ClN2OS — CID 119485306

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone
SMILESNCC1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1
InChIInChI=1S/C16H17ClN2OS/c17-13-3-1-12(2-4-13)14-5-6-15(21-14)16(20)19-8-7-11(9-18)10-19/h1-6,11H,7-10,18H2
InChIKeyGBSLYSFFCBGMCA-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.49
Rot. Bonds3

About [3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone

[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone (PubChem CID 119485306) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone
PubChem CID119485306
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone
SMILESNCC1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1
InChIInChI=1S/C16H17ClN2OS/c17-13-3-1-12(2-4-13)14-5-6-15(21-14)16(20)19-8-7-11(9-18)10-19/h1-6,11H,7-10,18H2
InChIKeyGBSLYSFFCBGMCA-UHFFFAOYSA-N
XLogP3.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chlorophenyl)thiophen-2-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646358
1-[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355332
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(4-chlorophenyl)-2-fluorophenyl]methanone;hydrochloride
CID 119486781
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 124611221
(5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 164637032
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride
CID 119377231
2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 17412087
[3-(aminomethyl)pyrrolidin-1-yl]-(3,6-dichloro-1-benzothiophen-2-yl)methanone
CID 119486356
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
[3-(aminomethyl)pyrrolidin-1-yl]-[5-(benzenesulfonyl)thiophen-2-yl]methanone
CID 119483665
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82878692

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone (CID 119485306) is [3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone is NCC1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone?
The InChIKey is GBSLYSFFCBGMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c17-13-3-1-12(2-4-13)14-5-6-15(21-14)16(20)19-8-7-11(9-18)10-19/h1-6,11H,7-10,18H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone has a molecular weight of 320.85 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 119485306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).