N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide

C13H19NOS — CID 170278641

IUPACN-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide
SMILESCc1cc(C)c(N(C)S(C)=O)cc1C1CC1
InChIInChI=1S/C13H19NOS/c1-9-7-10(2)13(14(3)16(4)15)8-12(9)11-5-6-11/h7-8,11H,5-6H2,1-4H3
InChIKeyNDAONTPMDUGZMV-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.91
Rot. Bonds3

About N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide

N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide (PubChem CID 170278641) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide
PubChem CID170278641
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide
SMILESCc1cc(C)c(N(C)S(C)=O)cc1C1CC1
InChIInChI=1S/C13H19NOS/c1-9-7-10(2)13(14(3)16(4)15)8-12(9)11-5-6-11/h7-8,11H,5-6H2,1-4H3
InChIKeyNDAONTPMDUGZMV-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide?
The IUPAC name of N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide (CID 170278641) is N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide.
What is the SMILES notation for N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide?
The canonical SMILES for N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide is Cc1cc(C)c(N(C)S(C)=O)cc1C1CC1.
What is the InChIKey of N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide?
The InChIKey is NDAONTPMDUGZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-7-10(2)13(14(3)16(4)15)8-12(9)11-5-6-11/h7-8,11H,5-6H2,1-4H3.
What are the key properties of N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide?
N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide has a molecular weight of 237.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide is sourced from PubChem (CID 170278641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).