N-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide

C19H27NO2S — CID 134944905

IUPACN-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27NO2S/c1-23(21,22)20-13-18(17-5-3-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,14-16,18,20H,7-13H2,1H3/t14?,15?,16?,18-,19?/m1/s1
InChIKeyDTCDNPRNYXKNCY-CHNSHAQVSA-N
MW333.50 g/mol
LogP3.54
Rot. Bonds5

About N-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide

N-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide (PubChem CID 134944905) has the molecular formula C19H27NO2S and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide
PubChem CID134944905
Molecular FormulaC19H27NO2S
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC NameN-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27NO2S/c1-23(21,22)20-13-18(17-5-3-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,14-16,18,20H,7-13H2,1H3/t14?,15?,16?,18-,19?/m1/s1
InChIKeyDTCDNPRNYXKNCY-CHNSHAQVSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide?
The IUPAC name of N-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide (CID 134944905) is N-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide is CS(=O)(=O)NC[C@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide?
The InChIKey is DTCDNPRNYXKNCY-CHNSHAQVSA-N. The full InChI is InChI=1S/C19H27NO2S/c1-23(21,22)20-13-18(17-5-3-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,14-16,18,20H,7-13H2,1H3/t14?,15?,16?,18-,19?/m1/s1.
What are the key properties of N-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide?
N-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide has a molecular weight of 333.50 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-adamantyl)-2-phenylethyl]methanesulfonamide is sourced from PubChem (CID 134944905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).