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

C10H23NO2S — CID 122599132

IUPACN-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide
SMILESCCCCC(C)(C)[C@H](C)NS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-6-7-8-10(3,4)9(2)11-14(5,12)13/h9,11H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyQYLRHIXJVSRLQZ-VIFPVBQESA-N
MW221.37 g/mol
LogP2.14
Rot. Bonds6

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

N-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide (PubChem CID 122599132) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide
PubChem CID122599132
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide
SMILESCCCCC(C)(C)[C@H](C)NS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-6-7-8-10(3,4)9(2)11-14(5,12)13/h9,11H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyQYLRHIXJVSRLQZ-VIFPVBQESA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide (CID 122599132) is N-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide is CCCCC(C)(C)[C@H](C)NS(C)(=O)=O.
What is the InChIKey of N-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide?
The InChIKey is QYLRHIXJVSRLQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23NO2S/c1-6-7-8-10(3,4)9(2)11-14(5,12)13/h9,11H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide?
N-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethylheptan-2-yl]methanesulfonamide is sourced from PubChem (CID 122599132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).