trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide

C17H20N2OS — CID 124591120

IUPACtrans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
SMILESN[C@H]1CC[C@H](C(=O)N(Cc2ccsc2)c2ccccc2)C1
InChIInChI=1S/C17H20N2OS/c18-15-7-6-14(10-15)17(20)19(11-13-8-9-21-12-13)16-4-2-1-3-5-16/h1-5,8-9,12,14-15H,6-7,10-11,18H2/t14-,15-/m0/s1
InChIKeyWTKRAZHLPCUVSS-GJZGRUSLSA-N
MW300.43 g/mol
LogP3.41
Rot. Bonds4

About trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide

trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 124591120) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
PubChem CID124591120
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Nametrans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
SMILESN[C@H]1CC[C@H](C(=O)N(Cc2ccsc2)c2ccccc2)C1
InChIInChI=1S/C17H20N2OS/c18-15-7-6-14(10-15)17(20)19(11-13-8-9-21-12-13)16-4-2-1-3-5-16/h1-5,8-9,12,14-15H,6-7,10-11,18H2/t14-,15-/m0/s1
InChIKeyWTKRAZHLPCUVSS-GJZGRUSLSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674156
3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide
CID 119749158
2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976864
N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119314158
(3S)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592122
(3R)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592121
trans-(1S,2S)-2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129466411
3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide
CID 119807478
(4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide
CID 95331565
1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone
CID 116557404
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
CID 119783021
2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide
CID 119314161

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide (CID 124591120) is trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide is N[C@H]1CC[C@H](C(=O)N(Cc2ccsc2)c2ccccc2)C1.
What is the InChIKey of trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is WTKRAZHLPCUVSS-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H20N2OS/c18-15-7-6-14(10-15)17(20)19(11-13-8-9-21-12-13)16-4-2-1-3-5-16/h1-5,8-9,12,14-15H,6-7,10-11,18H2/t14-,15-/m0/s1.
What are the key properties of trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide?
trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 124591120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).