N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine

C15H22ClNO2S — CID 103290116

IUPACN-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C15H22ClNO2S/c1-2-9-17-15(12-7-8-12)11-20(18,19)10-13-5-3-4-6-14(13)16/h3-6,12,15,17H,2,7-11H2,1H3
InChIKeyIJVPBZOTJCBBNJ-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.03
Rot. Bonds8

About N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine

N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine (PubChem CID 103290116) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine
PubChem CID103290116
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC NameN-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C15H22ClNO2S/c1-2-9-17-15(12-7-8-12)11-20(18,19)10-13-5-3-4-6-14(13)16/h3-6,12,15,17H,2,7-11H2,1H3
InChIKeyIJVPBZOTJCBBNJ-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine
CID 64639395
2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide
CID 63355092
1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine
CID 103290221
N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine
CID 63355414
N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
CID 119986671
N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine
CID 64674734
N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine
CID 104754032
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394
N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine
CID 104754263
1-(2-chlorophenyl)-N-heptylmethanesulfonamide
CID 17257569
N-ethyl-2-[(2-methylphenyl)methylsulfonyl]-1-(oxolan-3-yl)ethanamine
CID 104754198
N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 107312279

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine?
The IUPAC name of N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine (CID 103290116) is N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine is CCCNC(CS(=O)(=O)Cc1ccccc1Cl)C1CC1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine?
The InChIKey is IJVPBZOTJCBBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-2-9-17-15(12-7-8-12)11-20(18,19)10-13-5-3-4-6-14(13)16/h3-6,12,15,17H,2,7-11H2,1H3.
What are the key properties of N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine?
N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine has a molecular weight of 315.87 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine is sourced from PubChem (CID 103290116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).