N-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide

C10H20N2O2S — CID 112511250

IUPACN-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)C(C#N)C(C)C
InChIInChI=1S/C10H20N2O2S/c1-5-6-7-15(13,14)12(4)10(8-11)9(2)3/h9-10H,5-7H2,1-4H3
InChIKeyNVLCNECUGPPMSY-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.60
Rot. Bonds6

About N-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide

N-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide (PubChem CID 112511250) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide
PubChem CID112511250
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)C(C#N)C(C)C
InChIInChI=1S/C10H20N2O2S/c1-5-6-7-15(13,14)12(4)10(8-11)9(2)3/h9-10H,5-7H2,1-4H3
InChIKeyNVLCNECUGPPMSY-UHFFFAOYSA-N
XLogP1.60
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1-cyano-2-methylpropyl)-N-methylbutane-1-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

2-methyl-3-pentylsulfonylpropanenitrile
CID 107766791
N-butylsulfonyl-N-methylhexane-1-sulfonamide
CID 167138373
N-butan-2-yl-3-chloro-N-methylpropane-1-sulfonamide
CID 43654521
4-chloro-N-(2-cyanopropyl)-N-ethylbutane-1-sulfonamide
CID 116815412
N,N-dimethylheptane-1-sulfonamide
CID 118391256
N,N-bis(7-cyanoheptyl)heptane-1-sulfonamide
CID 172815352
N,N-bis(6-cyanohexyl)pentane-1-sulfonamide
CID 161351187
N,N-bis(9-cyanononyl)nonane-1-sulfonamide
CID 161312679
N-ethyl-N-methylheptane-1-sulfonamide
CID 131966885
N-butylsulfonyl-N-oxidopentane-1-sulfonamide
CID 163844134
N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide
CID 94698179
N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972433

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide (CID 112511250) is N-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C)C(C#N)C(C)C.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide?
The InChIKey is NVLCNECUGPPMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-5-6-7-15(13,14)12(4)10(8-11)9(2)3/h9-10H,5-7H2,1-4H3.
What are the key properties of N-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide?
N-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide has a molecular weight of 232.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 112511250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).