N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide

C13H29NO2S — CID 153298879

IUPACN,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide
SMILESCN(C(C)(C)CC(C)(C)C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-11(2,3)10-13(7,8)14(9)17(15,16)12(4,5)6/h10H2,1-9H3
InChIKeyXQTBGZPPEUUEKO-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.26
Rot. Bonds3

About N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide

N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide (PubChem CID 153298879) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide
PubChem CID153298879
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide
SMILESCN(C(C)(C)CC(C)(C)C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-11(2,3)10-13(7,8)14(9)17(15,16)12(4,5)6/h10H2,1-9H3
InChIKeyXQTBGZPPEUUEKO-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide
CID 63687287
N-(1-amino-2-methylbutan-2-yl)-N,2-dimethylpropane-2-sulfonamide
CID 63690060
N-tert-butyl-N,2,2-trimethylpropane-1-sulfonamide
CID 122607675
N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine
CID 91229612
N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 87313202
1,1,3,3-tetrakis(2,4,4-trimethylpentan-2-yl)guanidine
CID 121302597
N-(tert-butylsulfonimidoyl)-N,2-dimethylpropan-2-amine
CID 164656002
2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63689160
2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol
CID 164644258
N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide
CID 63688773
2,2,3,5,5-pentamethylhexane-3-sulfonic acid
CID 89046474
N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]methanesulfonamide
CID 89331793

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide?
The IUPAC name of N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide (CID 153298879) is N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide?
The canonical SMILES for N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide is CN(C(C)(C)CC(C)(C)C)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide?
The InChIKey is XQTBGZPPEUUEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-11(2,3)10-13(7,8)14(9)17(15,16)12(4,5)6/h10H2,1-9H3.
What are the key properties of N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide?
N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 153298879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).