[1-(3-methylsulfonylphenyl)cyclopropyl] carbamate

C11H13NO4S — CID 134494237

IUPAC[1-(3-methylsulfonylphenyl)cyclopropyl] carbamate
SMILESCS(=O)(=O)c1cccc(C2(OC(N)=O)CC2)c1
InChIInChI=1S/C11H13NO4S/c1-17(14,15)9-4-2-3-8(7-9)11(5-6-11)16-10(12)13/h2-4,7H,5-6H2,1H3,(H2,12,13)
InChIKeyVVANKOKIQBVWBZ-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.17
Rot. Bonds3

About [1-(3-methylsulfonylphenyl)cyclopropyl] carbamate

[1-(3-methylsulfonylphenyl)cyclopropyl] carbamate (PubChem CID 134494237) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is [1-(3-methylsulfonylphenyl)cyclopropyl] carbamate.

Molecular Properties

Compound Name[1-(3-methylsulfonylphenyl)cyclopropyl] carbamate
PubChem CID134494237
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name[1-(3-methylsulfonylphenyl)cyclopropyl] carbamate
SMILESCS(=O)(=O)c1cccc(C2(OC(N)=O)CC2)c1
InChIInChI=1S/C11H13NO4S/c1-17(14,15)9-4-2-3-8(7-9)11(5-6-11)16-10(12)13/h2-4,7H,5-6H2,1H3,(H2,12,13)
InChIKeyVVANKOKIQBVWBZ-UHFFFAOYSA-N
XLogP1.17
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-(3-methylsulfonylphenyl) carbamothioate
CID 87542484
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798
(1-phenylcyclopropyl) acetate
CID 121216912
(3-methylsulfonylbenzoyl)azanium
CID 163693398
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 107160125
methyl 3-methylsulfonylbenzoate
CID 6432252
[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate
CID 175231524
N-methyl-1-[3-(3-methylsulfonylphenyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 172875850
3-methylsulfonylbenzenesulfonamide;hydrochloride
CID 172691071
7,7-dimethoxybicyclo[3.1.1]hepta-1(6),2,4-triene carbamate
CID 18314380
N'-hydroxy-3-methylsulfonylbenzenecarboximidamide
CID 76685351
N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide
CID 63753605

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfonylphenyl)cyclopropyl] carbamate?
The IUPAC name of [1-(3-methylsulfonylphenyl)cyclopropyl] carbamate (CID 134494237) is [1-(3-methylsulfonylphenyl)cyclopropyl] carbamate.
What is the SMILES notation for [1-(3-methylsulfonylphenyl)cyclopropyl] carbamate?
The canonical SMILES for [1-(3-methylsulfonylphenyl)cyclopropyl] carbamate is CS(=O)(=O)c1cccc(C2(OC(N)=O)CC2)c1.
What is the InChIKey of [1-(3-methylsulfonylphenyl)cyclopropyl] carbamate?
The InChIKey is VVANKOKIQBVWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-17(14,15)9-4-2-3-8(7-9)11(5-6-11)16-10(12)13/h2-4,7H,5-6H2,1H3,(H2,12,13).
What are the key properties of [1-(3-methylsulfonylphenyl)cyclopropyl] carbamate?
[1-(3-methylsulfonylphenyl)cyclopropyl] carbamate has a molecular weight of 255.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfonylphenyl)cyclopropyl] carbamate is sourced from PubChem (CID 134494237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).