1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride

C11H16ClNO2S — CID 164606955

IUPAC1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride
SMILESCc1cccc(S(=O)(=O)CC2(N)CC2)c1.Cl
InChIInChI=1S/C11H15NO2S.ClH/c1-9-3-2-4-10(7-9)15(13,14)8-11(12)5-6-11;/h2-4,7H,5-6,8,12H2,1H3;1H
InChIKeySLFRPKFFYIJQHS-UHFFFAOYSA-N
MW261.77 g/mol
LogP1.68
Rot. Bonds3

About 1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride

1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride (PubChem CID 164606955) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride
PubChem CID164606955
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride
SMILESCc1cccc(S(=O)(=O)CC2(N)CC2)c1.Cl
InChIInChI=1S/C11H15NO2S.ClH/c1-9-3-2-4-10(7-9)15(13,14)8-11(12)5-6-11;/h2-4,7H,5-6,8,12H2,1H3;1H
InChIKeySLFRPKFFYIJQHS-UHFFFAOYSA-N
XLogP1.68
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(bromomethyl)cyclohexyl]methylsulfonyl]-3-methylbenzene
CID 65006643
1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride
CID 164606977
[1-(3-methylphenyl)sulfonylcyclopropyl]methanol
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3-methylbenzenesulfonamide
CID 69347063
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
1-methyl-3-prop-2-ynylsulfonylbenzene
CID 82368810
N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine
CID 117036397
1-(3-chloropropylsulfonyl)-3-methylbenzene
CID 21272204
5-methyl-2-[(3-methylphenyl)sulfonylmethyl]aniline
CID 173185828
1-(2,2-dimethoxyethylsulfonyl)-3-methylbenzene
CID 66222400
1-(2-ethoxyethylsulfonyl)-3-methylbenzene
CID 91509365
(3-methylphenyl)sulfonylazanide
CID 158627668

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride (CID 164606955) is 1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride is Cc1cccc(S(=O)(=O)CC2(N)CC2)c1.Cl.
What is the InChIKey of 1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is SLFRPKFFYIJQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S.ClH/c1-9-3-2-4-10(7-9)15(13,14)8-11(12)5-6-11;/h2-4,7H,5-6,8,12H2,1H3;1H.
What are the key properties of 1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride?
1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 261.77 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 164606955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).