N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide

C9H22N2O2S — CID 23573801

IUPACN-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCNS(C)(=O)=O)C(C)C
InChIInChI=1S/C9H22N2O2S/c1-8(2)11(9(3)4)7-6-10-14(5,12)13/h8-10H,6-7H2,1-5H3
InChIKeyFAXYAHQTYVXFNO-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.65
Rot. Bonds6

About N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide

N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 23573801) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide
PubChem CID23573801
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCNS(C)(=O)=O)C(C)C
InChIInChI=1S/C9H22N2O2S/c1-8(2)11(9(3)4)7-6-10-14(5,12)13/h8-10H,6-7H2,1-5H3
InChIKeyFAXYAHQTYVXFNO-UHFFFAOYSA-N
XLogP0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide (CID 23573801) is N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide is CC(C)N(CCNS(C)(=O)=O)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is FAXYAHQTYVXFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-8(2)11(9(3)4)7-6-10-14(5,12)13/h8-10H,6-7H2,1-5H3.
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 23573801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).