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

C11H23NO2S — CID 107757830

IUPACN-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine
SMILESCC(C)CCS(=O)(=O)C(C)CNC1CC1
InChIInChI=1S/C11H23NO2S/c1-9(2)6-7-15(13,14)10(3)8-12-11-4-5-11/h9-12H,4-8H2,1-3H3
InChIKeyDFGCXKZZNRMABE-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds7

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

N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine (PubChem CID 107757830) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine
PubChem CID107757830
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine
SMILESCC(C)CCS(=O)(=O)C(C)CNC1CC1
InChIInChI=1S/C11H23NO2S/c1-9(2)6-7-15(13,14)10(3)8-12-11-4-5-11/h9-12H,4-8H2,1-3H3
InChIKeyDFGCXKZZNRMABE-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-N-(3-methylbutyl)propane-2-sulfonamide
CID 106059038
1-(cyclopropylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734212
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
1-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]propane-2-sulfonamide
CID 106074303
N-(4-hydroxycyclohexyl)-3-methylbutane-1-sulfonamide
CID 63856243
N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine
CID 62529767
1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 106052302
1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide
CID 106079574
2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide
CID 81194493
1-(cyclopropylamino)-N-(1-cyclopropylpropan-2-yl)propane-2-sulfonamide
CID 106065688
N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine
CID 106729682
1-(cyclopropylamino)-N-piperidin-1-ylpropane-2-sulfonamide
CID 106075218

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine (CID 107757830) is N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine is CC(C)CCS(=O)(=O)C(C)CNC1CC1.
What is the InChIKey of N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine?
The InChIKey is DFGCXKZZNRMABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)6-7-15(13,14)10(3)8-12-11-4-5-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine?
N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine is sourced from PubChem (CID 107757830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).