N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine

C13H27NO2S — CID 106729682

IUPACN-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCC(CNC1CC1)C(C)C
InChIInChI=1S/C13H27NO2S/c1-4-8-17(15,16)9-7-12(11(2)3)10-14-13-5-6-13/h11-14H,4-10H2,1-3H3
InChIKeyXBPFCDAJMULVPD-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.23
Rot. Bonds9

About N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine

N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine (PubChem CID 106729682) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine
PubChem CID106729682
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCC(CNC1CC1)C(C)C
InChIInChI=1S/C13H27NO2S/c1-4-8-17(15,16)9-7-12(11(2)3)10-14-13-5-6-13/h11-14H,4-10H2,1-3H3
InChIKeyXBPFCDAJMULVPD-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-propan-2-yltetradecyl)cyclopropanamine
CID 63520975
N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine
CID 62529767
N-(2-ethyl-3-methylbutyl)cyclopropanamine
CID 62529769
N-[2-(2-ethoxyethyl)-3-methylbutyl]cyclopropanamine
CID 62529954
N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730168
N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730256
4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 103830760
N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730114
N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine
CID 107757830
N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine
CID 62530526
1-(cyclopropylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734212
N,2-dimethyl-4-propylsulfonylbutan-1-amine
CID 106729620

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine (CID 106729682) is N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine is CCCS(=O)(=O)CCC(CNC1CC1)C(C)C.
What is the InChIKey of N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine?
The InChIKey is XBPFCDAJMULVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-8-17(15,16)9-7-12(11(2)3)10-14-13-5-6-13/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine?
N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine has a molecular weight of 261.43 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine is sourced from PubChem (CID 106729682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).