N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide

C9H22N2O2S — CID 165444690

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

About N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide

N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide (PubChem CID 165444690) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide
PubChem CID165444690
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCNC(C)C
InChIInChI=1S/C9H22N2O2S/c1-5-8-14(12,13)11(4)7-6-10-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyAEYQIBSFUQOYGA-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-methyl-N-propylpropane-1-sulfonamide
CID 59491856
N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63010138
N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide
CID 78925049
N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide
CID 81067991
N'-(3-ethylsulfonylpropyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 65093188
N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972654
N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide
CID 165444691
2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
CID 106018827
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809
N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 82951040
N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
CID 79859155
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-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide?
The IUPAC name of N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide (CID 165444690) is N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)N(C)CCNC(C)C.
What is the InChIKey of N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide?
The InChIKey is AEYQIBSFUQOYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-5-8-14(12,13)11(4)7-6-10-9(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide?
N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-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-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 165444690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).