N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide

C10H23NO2S — CID 58909071

IUPACN-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide
SMILESCCC(C)C[C@H](NS(C)(=O)=O)C(C)C
InChIInChI=1S/C10H23NO2S/c1-6-9(4)7-10(8(2)3)11-14(5,12)13/h8-11H,6-7H2,1-5H3/t9?,10-/m0/s1
InChIKeyYJGWCYHDJRVXHK-AXDSSHIGSA-N
MW221.37 g/mol
LogP2.00
Rot. Bonds6

About N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide

N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide (PubChem CID 58909071) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide
PubChem CID58909071
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide
SMILESCCC(C)C[C@H](NS(C)(=O)=O)C(C)C
InChIInChI=1S/C10H23NO2S/c1-6-9(4)7-10(8(2)3)11-14(5,12)13/h8-11H,6-7H2,1-5H3/t9?,10-/m0/s1
InChIKeyYJGWCYHDJRVXHK-AXDSSHIGSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide (CID 58909071) is N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide is CCC(C)C[C@H](NS(C)(=O)=O)C(C)C.
What is the InChIKey of N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide?
The InChIKey is YJGWCYHDJRVXHK-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-6-9(4)7-10(8(2)3)11-14(5,12)13/h8-11H,6-7H2,1-5H3/t9?,10-/m0/s1.
What are the key properties of N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide?
N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide is sourced from PubChem (CID 58909071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).