N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine

C14H21NO2S — CID 79889051

IUPACN-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCCNCc1ccccc1C1CC1
InChIInChI=1S/C14H21NO2S/c1-18(16,17)10-4-9-15-11-13-5-2-3-6-14(13)12-7-8-12/h2-3,5-6,12,15H,4,7-11H2,1H3
InChIKeySAYNTNIBJKATTD-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.09
Rot. Bonds7

About N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine

N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine (PubChem CID 79889051) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine
PubChem CID79889051
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCCNCc1ccccc1C1CC1
InChIInChI=1S/C14H21NO2S/c1-18(16,17)10-4-9-15-11-13-5-2-3-6-14(13)12-7-8-12/h2-3,5-6,12,15H,4,7-11H2,1H3
InChIKeySAYNTNIBJKATTD-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide
CID 103739279
2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide
CID 103739342
N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979438
5-[(2-cyclopropylphenyl)methylamino]pentanamide
CID 106234312
N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79889119
N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491475
N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 79983931
N-[(2-cyclopropylphenyl)methyl]-4-methylsulfonylaniline
CID 79969795
3-methylsulfonyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 54904730
3-methylsulfonyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 54904630
2-[(2-cyclopropylphenyl)methylamino]acetic acid
CID 79979274
methyl 2-[(2-cyclopropylphenyl)methylamino]acetate
CID 79978808

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine (CID 79889051) is N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CCCNCc1ccccc1C1CC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine?
The InChIKey is SAYNTNIBJKATTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-18(16,17)10-4-9-15-11-13-5-2-3-6-14(13)12-7-8-12/h2-3,5-6,12,15H,4,7-11H2,1H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine?
N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 79889051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).