cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine

C9H11NO2S — CID 99999285

IUPACcis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
SMILESN[C@H]1C[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO2S/c10-8-6-9(8)13(11,12)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
InChIKeyBCWOIEUIRGXSFG-DTWKUNHWSA-N
MW197.26 g/mol
LogP0.56
Rot. Bonds2

About cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine

cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine (PubChem CID 99999285) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
PubChem CID99999285
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Namecis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
SMILESN[C@H]1C[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO2S/c10-8-6-9(8)13(11,12)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
InChIKeyBCWOIEUIRGXSFG-DTWKUNHWSA-N
XLogP0.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)cyclohexan-1-amine
CID 62918222
2-(benzenesulfonyl)cycloheptan-1-amine
CID 62916688
2-(benzenesulfonyl)-4-propylcyclohexan-1-amine
CID 62918050
(1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol
CID 10911682
trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde
CID 99999364
[2-(benzenesulfonyl)cycloheptyl]methanamine
CID 64698780
1-[2-(benzenesulfonyl)cyclopropyl]ethanone
CID 24975351
(2-pentylcyclopropyl)sulfonylbenzene
CID 10467407
[2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium
CID 11728948
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
9-(benzenesulfonyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 74340992
(1R,2R,5R)-2-(benzenesulfonyl)-5-methylcyclohexan-1-ol
CID 164781537

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine?
The IUPAC name of cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine (CID 99999285) is cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine is N[C@H]1C[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine?
The InChIKey is BCWOIEUIRGXSFG-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H11NO2S/c10-8-6-9(8)13(11,12)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine?
cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine has a molecular weight of 197.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine is sourced from PubChem (CID 99999285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).