N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine

C12H17NO2S — CID 115903384

IUPACN-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
SMILESCC(CS(=O)(=O)c1ccccc1)NC1CC1
InChIInChI=1S/C12H17NO2S/c1-10(13-11-7-8-11)9-16(14,15)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3
InChIKeyDKNPEJFQNUPCMJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.60
Rot. Bonds5

About N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine

N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine (PubChem CID 115903384) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
PubChem CID115903384
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
SMILESCC(CS(=O)(=O)c1ccccc1)NC1CC1
InChIInChI=1S/C12H17NO2S/c1-10(13-11-7-8-11)9-16(14,15)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3
InChIKeyDKNPEJFQNUPCMJ-UHFFFAOYSA-N
XLogP1.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115889867
N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine
CID 103902239
(1R,5S,6R)-N-[(2R)-1-(benzenesulfonyl)propan-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 124739094
1-(benzenesulfonyl)propan-2-amine
CID 62917209
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine
CID 62568312
N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 64629774
N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine
CID 103914438
3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680
3-(benzenesulfonyl)-2-methylpropan-1-amine
CID 64698178
N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine
CID 126794852
N-(1-methylsulfanylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115721718

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine?
The IUPAC name of N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine (CID 115903384) is N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine?
The canonical SMILES for N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine is CC(CS(=O)(=O)c1ccccc1)NC1CC1.
What is the InChIKey of N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine?
The InChIKey is DKNPEJFQNUPCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10(13-11-7-8-11)9-16(14,15)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3.
What are the key properties of N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine?
N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine has a molecular weight of 239.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine is sourced from PubChem (CID 115903384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).