N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine

C9H19NO2S2 — CID 63658882

IUPACN-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine
SMILESCS(=O)(=O)CCSCCCNC1CC1
InChIInChI=1S/C9H19NO2S2/c1-14(11,12)8-7-13-6-2-5-10-9-3-4-9/h9-10H,2-8H2,1H3
InChIKeySJKHIJQHLPYMQY-UHFFFAOYSA-N
MW237.39 g/mol
LogP0.91
Rot. Bonds8

About N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine

N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine (PubChem CID 63658882) has the molecular formula C9H19NO2S2 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine
PubChem CID63658882
Molecular FormulaC9H19NO2S2
Molecular Weight237.39 g/mol
Exact Mass237.09
IUPAC NameN-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine
SMILESCS(=O)(=O)CCSCCCNC1CC1
InChIInChI=1S/C9H19NO2S2/c1-14(11,12)8-7-13-6-2-5-10-9-3-4-9/h9-10H,2-8H2,1H3
InChIKeySJKHIJQHLPYMQY-UHFFFAOYSA-N
XLogP0.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfonylpropyl)thian-4-amine
CID 61020529
4-methyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65080083
4,4-dimethyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65083791
N-(3-tert-butylsulfonylpropyl)cyclopropanamine
CID 64645174
1-ethyl-N-(3-methylsulfonylpropyl)azepan-4-amine
CID 65073233
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
CID 63658880
4-ethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920149
N-(3-methylsulfonylpropyl)pyrrolidin-3-amine
CID 79747715
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide
CID 63660311
2-(cyclopropylamino)-2-methyl-4-(2-methylsulfonylethylsulfanyl)butan-1-ol
CID 64806077

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine (CID 63658882) is N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine is CS(=O)(=O)CCSCCCNC1CC1.
What is the InChIKey of N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine?
The InChIKey is SJKHIJQHLPYMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S2/c1-14(11,12)8-7-13-6-2-5-10-9-3-4-9/h9-10H,2-8H2,1H3.
What are the key properties of N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine?
N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine has a molecular weight of 237.39 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine is sourced from PubChem (CID 63658882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).