N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine

C17H27NO2S — CID 106730114

IUPACN-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCC(CNC1CC1)c1cccc(C)c1
InChIInChI=1S/C17H27NO2S/c1-3-10-21(19,20)11-9-16(13-18-17-7-8-17)15-6-4-5-14(2)12-15/h4-6,12,16-18H,3,7-11,13H2,1-2H3
InChIKeyGEIHQVSUOYVKIQ-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.05
Rot. Bonds9

About N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine

N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine (PubChem CID 106730114) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine
PubChem CID106730114
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC NameN-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCC(CNC1CC1)c1cccc(C)c1
InChIInChI=1S/C17H27NO2S/c1-3-10-21(19,20)11-9-16(13-18-17-7-8-17)15-6-4-5-14(2)12-15/h4-6,12,16-18H,3,7-11,13H2,1-2H3
InChIKeyGEIHQVSUOYVKIQ-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730168
4-ethylsulfonyl-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 79417569
N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine
CID 79422736
N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730256
N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
CID 79417115
N-[5-ethylsulfonyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79430982
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 106930859
N-[3-(2-fluorophenyl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 79422729
2-(3-bromophenyl)-N-propan-2-yl-4-propylsulfonylbutan-1-amine
CID 106730210
N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine
CID 79449139
N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 103138764

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine (CID 106730114) is N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine is CCCS(=O)(=O)CCC(CNC1CC1)c1cccc(C)c1.
What is the InChIKey of N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine?
The InChIKey is GEIHQVSUOYVKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-10-21(19,20)11-9-16(13-18-17-7-8-17)15-6-4-5-14(2)12-15/h4-6,12,16-18H,3,7-11,13H2,1-2H3.
What are the key properties of N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine?
N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine has a molecular weight of 309.47 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine is sourced from PubChem (CID 106730114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).