N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide

C13H29NO3S — CID 102912941

IUPACN-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H29NO3S/c1-10(2)13(11(3)4)9-14-18(15,16)8-7-17-12(5)6/h10-14H,7-9H2,1-6H3
InChIKeyYFZVLUFTBXMQLI-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.26
Rot. Bonds9

About N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide

N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 102912941) has the molecular formula C13H29NO3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID102912941
Molecular FormulaC13H29NO3S
Molecular Weight279.45 g/mol
Exact Mass279.19
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H29NO3S/c1-10(2)13(11(3)4)9-14-18(15,16)8-7-17-12(5)6/h10-14H,7-9H2,1-6H3
InChIKeyYFZVLUFTBXMQLI-UHFFFAOYSA-N
XLogP2.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide (CID 102912941) is N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is YFZVLUFTBXMQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3S/c1-10(2)13(11(3)4)9-14-18(15,16)8-7-17-12(5)6/h10-14H,7-9H2,1-6H3.
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide?
N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 279.45 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 102912941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).