1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine

C14H21NO2S — CID 117116098

IUPAC1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCC(C)(c1ccc(CC2(N)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21NO2S/c1-13(2,18(3,16)17)12-6-4-11(5-7-12)10-14(15)8-9-14/h4-7H,8-10,15H2,1-3H3
InChIKeyCHZOCVKKAYKZRA-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.00
Rot. Bonds4

About 1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine

1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117116098) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117116098
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCC(C)(c1ccc(CC2(N)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21NO2S/c1-13(2,18(3,16)17)12-6-4-11(5-7-12)10-14(15)8-9-14/h4-7H,8-10,15H2,1-3H3
InChIKeyCHZOCVKKAYKZRA-UHFFFAOYSA-N
XLogP2.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methanesulfonylphenyl)propan-2-amine
CID 69120764
2-(4-Methanesulfonylphenyl)propan-2-amine
CID 71048734
2-Methanesulfonyl-1-(4-methylphenyl)propan-1-amine
CID 62784750
2-Amino-2-methyl-3-phenylpropanesulfonic acid
CID 24787382
2-Amino-2-methyl-4-phenylbutanesulfonic acid
CID 101844061
N-(2-methyl-1-phenylpropan-2-yl)methanesulfonamide
CID 73253666
N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide
CID 84590971
2-Methanesulfonyl-2-phenylethan-1-amine
CID 19104070
(2S)-1-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoropropan-2-amine
CID 71050115
2-methyl-N-(1-methyl-2-phenylcyclopent-2-en-1-yl)propane-2-sulfonamide
CID 102388634
2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide
CID 134998259
N-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 134998517

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine (CID 117116098) is 1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine is CC(C)(c1ccc(CC2(N)CC2)cc1)S(C)(=O)=O.
What is the InChIKey of 1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is CHZOCVKKAYKZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-13(2,18(3,16)17)12-6-4-11(5-7-12)10-14(15)8-9-14/h4-7H,8-10,15H2,1-3H3.
What are the key properties of 1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine?
1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117116098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).