N-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide

C12H24N2O3S — CID 47414178

IUPACN-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide
SMILESCN(C(=O)CCNS(C)(=O)=O)C1CCCCCC1
InChIInChI=1S/C12H24N2O3S/c1-14(11-7-5-3-4-6-8-11)12(15)9-10-13-18(2,16)17/h11,13H,3-10H2,1-2H3
InChIKeyNWOXCANJRQPKQN-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.11
Rot. Bonds5

About N-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide

N-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide (PubChem CID 47414178) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide
PubChem CID47414178
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide
SMILESCN(C(=O)CCNS(C)(=O)=O)C1CCCCCC1
InChIInChI=1S/C12H24N2O3S/c1-14(11-7-5-3-4-6-8-11)12(15)9-10-13-18(2,16)17/h11,13H,3-10H2,1-2H3
InChIKeyNWOXCANJRQPKQN-UHFFFAOYSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide?
The IUPAC name of N-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide (CID 47414178) is N-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide.
What is the SMILES notation for N-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide?
The canonical SMILES for N-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide is CN(C(=O)CCNS(C)(=O)=O)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide?
The InChIKey is NWOXCANJRQPKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-14(11-7-5-3-4-6-8-11)12(15)9-10-13-18(2,16)17/h11,13H,3-10H2,1-2H3.
What are the key properties of N-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide?
N-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide has a molecular weight of 276.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(methanesulfonamido)-N-methylpropanamide is sourced from PubChem (CID 47414178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).