N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide

C9H22N2O2S — CID 165444691

IUPACN-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCNC)C(C)C
InChIInChI=1S/C9H22N2O2S/c1-5-8-14(12,13)11(9(2)3)7-6-10-4/h9-10H,5-8H2,1-4H3
InChIKeyVCMYPRLEQGRGEZ-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.66
Rot. Bonds7

About N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide

N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 165444691) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide
PubChem CID165444691
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCNC)C(C)C
InChIInChI=1S/C9H22N2O2S/c1-5-8-14(12,13)11(9(2)3)7-6-10-4/h9-10H,5-8H2,1-4H3
InChIKeyVCMYPRLEQGRGEZ-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(methylamino)ethanesulfonamide
CID 103189757
N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide
CID 165444690
N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide
CID 79593859
N-(2-aminoethyl)-N-pentan-3-ylpropane-1-sulfonamide
CID 63765084
ethane;N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 142040763
N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide
CID 89281493
N,2-dimethyl-4-propylsulfonylbutan-1-amine
CID 106729620
N-methyl-N-propylpropane-1-sulfonamide
CID 59491856
N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide
CID 79471044
3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54996337
1-(methylamino)-5-propylsulfonylpentan-3-one
CID 106736291
N-methylpropan-1-amine;sulfuric acid
CID 159819552

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide (CID 165444691) is N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide is CCCS(=O)(=O)N(CCNC)C(C)C.
What is the InChIKey of N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is VCMYPRLEQGRGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-5-8-14(12,13)11(9(2)3)7-6-10-4/h9-10H,5-8H2,1-4H3.
What are the key properties of N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide?
N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 165444691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).