N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine

C14H29NO2S — CID 106729943

IUPACN-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine
SMILESCCCS(=O)(=O)CCC(CC)(CC)CNC1CC1
InChIInChI=1S/C14H29NO2S/c1-4-10-18(16,17)11-9-14(5-2,6-3)12-15-13-7-8-13/h13,15H,4-12H2,1-3H3
InChIKeySHANGVZAWXNIOR-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.76
Rot. Bonds10

About N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine

N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine (PubChem CID 106729943) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine
PubChem CID106729943
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine
SMILESCCCS(=O)(=O)CCC(CC)(CC)CNC1CC1
InChIInChI=1S/C14H29NO2S/c1-4-10-18(16,17)11-9-14(5-2,6-3)12-15-13-7-8-13/h13,15H,4-12H2,1-3H3
InChIKeySHANGVZAWXNIOR-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-bis(bromomethyl)-1-propylsulfonylpentane
CID 106734917
N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine
CID 65096971
N'-cyclopropyl-2,2-diethylpropane-1,3-diamine
CID 115432791
4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 103830760
N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine
CID 62723470
N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine
CID 62596757
N,N'-dicyclopropyl-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62263843
2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine
CID 62724247
2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-propylamino]ethanol
CID 55056097
3,3-bis(chloromethyl)-1-propylsulfonylhexane
CID 106734849
1-propylsulfonylpropane
CID 11709
2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol
CID 106730792

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine?
The IUPAC name of N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine (CID 106729943) is N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine.
What is the SMILES notation for N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine?
The canonical SMILES for N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine is CCCS(=O)(=O)CCC(CC)(CC)CNC1CC1.
What is the InChIKey of N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine?
The InChIKey is SHANGVZAWXNIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-4-10-18(16,17)11-9-14(5-2,6-3)12-15-13-7-8-13/h13,15H,4-12H2,1-3H3.
What are the key properties of N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine?
N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine has a molecular weight of 275.46 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine is sourced from PubChem (CID 106729943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).