N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide

C12H20N2O2S — CID 40718580

IUPACN-[2-(3-phenylpropylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCCCc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-17(15,16)14-11-10-13-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3
InChIKeySZVFNCZKBXNRLH-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.76
Rot. Bonds8

About N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide

N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide (PubChem CID 40718580) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-phenylpropylamino)ethyl]methanesulfonamide
PubChem CID40718580
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[2-(3-phenylpropylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCCCc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-17(15,16)14-11-10-13-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3
InChIKeySZVFNCZKBXNRLH-UHFFFAOYSA-N
XLogP0.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
3-ethylsulfonyl-N-(2-phenylethyl)propan-1-amine
CID 65094242
1-[2-(methanesulfonamido)ethyl]-3-[(2R)-4-phenylbutan-2-yl]urea
CID 36507811
N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide
CID 114333365
2-(3-phenylpropylamino)ethanol
CID 19012091
N-(2-bromoethyl)-3-phenylpropan-1-amine
CID 68743153
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
N-ethyl-N-[3-(4-phenylbutylamino)propyl]methanesulfonamide
CID 114333227
4-bromo-N-(3-phenylpropyl)butan-1-amine
CID 106844820

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide (CID 40718580) is N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNCCCc1ccccc1.
What is the InChIKey of N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide?
The InChIKey is SZVFNCZKBXNRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-17(15,16)14-11-10-13-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3.
What are the key properties of N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide?
N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 40718580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).