N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine

C15H22ClNO2S — CID 79552053

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(CNC(c1ccc(Cl)cc1)C1CC1)S(C)(=O)=O
InChIInChI=1S/C15H22ClNO2S/c1-15(2,20(3,18)19)10-17-14(11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,14,17H,4-5,10H2,1-3H3
InChIKeySPPWRUROLUFIOL-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.20
Rot. Bonds6

About N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 79552053) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID79552053
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(CNC(c1ccc(Cl)cc1)C1CC1)S(C)(=O)=O
InChIInChI=1S/C15H22ClNO2S/c1-15(2,20(3,18)19)10-17-14(11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,14,17H,4-5,10H2,1-3H3
InChIKeySPPWRUROLUFIOL-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-2-ethylbutan-1-ol
CID 106252007
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol
CID 104860395
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide
CID 115605327
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
CID 104827637
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
CID 63451555
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide
CID 51249164
N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine
CID 115898470
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 55185676

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine (CID 79552053) is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine is CC(C)(CNC(c1ccc(Cl)cc1)C1CC1)S(C)(=O)=O.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is SPPWRUROLUFIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-15(2,20(3,18)19)10-17-14(11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,14,17H,4-5,10H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 315.87 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 79552053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).