N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide

C13H29N3O2S — CID 63859794

IUPACN-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide
SMILESCC(C)N1CCC(NCC(C)(C)NS(C)(=O)=O)CC1
InChIInChI=1S/C13H29N3O2S/c1-11(2)16-8-6-12(7-9-16)14-10-13(3,4)15-19(5,17)18/h11-12,14-15H,6-10H2,1-5H3
InChIKeyNSPXSQGNLGBPQV-UHFFFAOYSA-N
MW291.46 g/mol
LogP0.78
Rot. Bonds6

About N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide (PubChem CID 63859794) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide
PubChem CID63859794
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC NameN-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide
SMILESCC(C)N1CCC(NCC(C)(C)NS(C)(=O)=O)CC1
InChIInChI=1S/C13H29N3O2S/c1-11(2)16-8-6-12(7-9-16)14-10-13(3,4)15-19(5,17)18/h11-12,14-15H,6-10H2,1-5H3
InChIKeyNSPXSQGNLGBPQV-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide (CID 63859794) is N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide is CC(C)N1CCC(NCC(C)(C)NS(C)(=O)=O)CC1.
What is the InChIKey of N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide?
The InChIKey is NSPXSQGNLGBPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-11(2)16-8-6-12(7-9-16)14-10-13(3,4)15-19(5,17)18/h11-12,14-15H,6-10H2,1-5H3.
What are the key properties of N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide has a molecular weight of 291.46 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).