cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine

C16H23NO2S — CID 129423562

IUPACcis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine
SMILESCN(C/C=C/c1ccccc1)[C@H]1CCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C16H23NO2S/c1-17(13-7-10-14-8-4-3-5-9-14)15-11-6-12-16(15)20(2,18)19/h3-5,7-10,15-16H,6,11-13H2,1-2H3/b10-7+/t15-,16+/m0/s1
InChIKeyNTOUULSBZFSECU-UIOUNXJESA-N
MW293.43 g/mol
LogP2.60
Rot. Bonds5

About cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine

cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine (PubChem CID 129423562) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine
PubChem CID129423562
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Namecis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine
SMILESCN(C/C=C/c1ccccc1)[C@H]1CCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C16H23NO2S/c1-17(13-7-10-14-8-4-3-5-9-14)15-11-6-12-16(15)20(2,18)19/h3-5,7-10,15-16H,6,11-13H2,1-2H3/b10-7+/t15-,16+/m0/s1
InChIKeyNTOUULSBZFSECU-UIOUNXJESA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide
CID 96998024
cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide
CID 122566972
2-methyl-2-[2-[[methyl-[(1R,2R)-2-methylsulfonylcyclopentyl]amino]methyl]phenyl]propanenitrile
CID 129427128
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 71983420
N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 122392912
N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 84591142
(E)-3-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)prop-2-enamide
CID 75407723
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 129422118
methyl 2-[[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]methyl]benzoate
CID 124776937
cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 124725633
1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol
CID 111543944
2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile
CID 77037858

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine (CID 129423562) is cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine is CN(C/C=C/c1ccccc1)[C@H]1CCC[C@H]1S(C)(=O)=O.
What is the InChIKey of cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine?
The InChIKey is NTOUULSBZFSECU-UIOUNXJESA-N. The full InChI is InChI=1S/C16H23NO2S/c1-17(13-7-10-14-8-4-3-5-9-14)15-11-6-12-16(15)20(2,18)19/h3-5,7-10,15-16H,6,11-13H2,1-2H3/b10-7+/t15-,16+/m0/s1.
What are the key properties of cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine?
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine is sourced from PubChem (CID 129423562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).