N-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide

C11H24N2O2S — CID 22959011

IUPACN-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide
SMILESCC(C)N(CC1(NS(C)(=O)=O)CC1)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-9(2)13(10(3)4)8-11(6-7-11)12-16(5,14)15/h9-10,12H,6-8H2,1-5H3
InChIKeyBLMCWWFXCZJLDL-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.19
Rot. Bonds6

About N-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide

N-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide (PubChem CID 22959011) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide
PubChem CID22959011
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide
SMILESCC(C)N(CC1(NS(C)(=O)=O)CC1)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-9(2)13(10(3)4)8-11(6-7-11)12-16(5,14)15/h9-10,12H,6-8H2,1-5H3
InChIKeyBLMCWWFXCZJLDL-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide?
The IUPAC name of N-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide (CID 22959011) is N-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide.
What is the SMILES notation for N-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide?
The canonical SMILES for N-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide is CC(C)N(CC1(NS(C)(=O)=O)CC1)C(C)C.
What is the InChIKey of N-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide?
The InChIKey is BLMCWWFXCZJLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(2)13(10(3)4)8-11(6-7-11)12-16(5,14)15/h9-10,12H,6-8H2,1-5H3.
What are the key properties of N-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide?
N-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]methanesulfonamide is sourced from PubChem (CID 22959011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).