N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide

C11H23NO3S2 — CID 91816798

IUPACN-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide
SMILESCOC1(CNS(=O)(=O)CC(C)C)CCSCC1
InChIInChI=1S/C11H23NO3S2/c1-10(2)8-17(13,14)12-9-11(15-3)4-6-16-7-5-11/h10,12H,4-9H2,1-3H3
InChIKeySMJHOJHGLXPTKI-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.47
Rot. Bonds6

About N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide

N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide (PubChem CID 91816798) has the molecular formula C11H23NO3S2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide
PubChem CID91816798
Molecular FormulaC11H23NO3S2
Molecular Weight281.44 g/mol
Exact Mass281.11
IUPAC NameN-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide
SMILESCOC1(CNS(=O)(=O)CC(C)C)CCSCC1
InChIInChI=1S/C11H23NO3S2/c1-10(2)8-17(13,14)12-9-11(15-3)4-6-16-7-5-11/h10,12H,4-9H2,1-3H3
InChIKeySMJHOJHGLXPTKI-UHFFFAOYSA-N
XLogP1.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide (CID 91816798) is N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide is COC1(CNS(=O)(=O)CC(C)C)CCSCC1.
What is the InChIKey of N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide?
The InChIKey is SMJHOJHGLXPTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S2/c1-10(2)8-17(13,14)12-9-11(15-3)4-6-16-7-5-11/h10,12H,4-9H2,1-3H3.
What are the key properties of N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide?
N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide has a molecular weight of 281.44 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxythian-4-yl)methyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 91816798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).