[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine

C16H17NO2S — CID 124746264

IUPAC[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine
SMILESNC[C@@H]1[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17NO2S/c17-11-14-15(12-7-3-1-4-8-12)16(14)20(18,19)13-9-5-2-6-10-13/h1-10,14-16H,11,17H2/t14-,15+,16+/m1/s1
InChIKeyKXEHYTCGVACPOM-PMPSAXMXSA-N
MW287.38 g/mol
LogP2.20
Rot. Bonds4

About [(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine

[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine (PubChem CID 124746264) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is [(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine
PubChem CID124746264
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine
SMILESNC[C@@H]1[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17NO2S/c17-11-14-15(12-7-3-1-4-8-12)16(14)20(18,19)13-9-5-2-6-10-13/h1-10,14-16H,11,17H2/t14-,15+,16+/m1/s1
InChIKeyKXEHYTCGVACPOM-PMPSAXMXSA-N
XLogP2.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 124858189
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine
CID 124859233
[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124745204
[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone
CID 15419338
(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropan-1-amine
CID 124745711
1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
CID 70867631
2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine
CID 102569327
(1R,2R,3S)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858605
(1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858604
(1S,2S,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 124675771
(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 129413121

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine?
The IUPAC name of [(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine (CID 124746264) is [(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine.
What is the SMILES notation for [(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine?
The canonical SMILES for [(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine is NC[C@@H]1[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine?
The InChIKey is KXEHYTCGVACPOM-PMPSAXMXSA-N. The full InChI is InChI=1S/C16H17NO2S/c17-11-14-15(12-7-3-1-4-8-12)16(14)20(18,19)13-9-5-2-6-10-13/h1-10,14-16H,11,17H2/t14-,15+,16+/m1/s1.
What are the key properties of [(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine?
[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine has a molecular weight of 287.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine is sourced from PubChem (CID 124746264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).