N-[(4-methoxythian-4-yl)methyl]methanesulfonamide

C8H17NO3S2 — CID 91816796

IUPACN-[(4-methoxythian-4-yl)methyl]methanesulfonamide
SMILESCOC1(CNS(C)(=O)=O)CCSCC1
InChIInChI=1S/C8H17NO3S2/c1-12-8(3-5-13-6-4-8)7-9-14(2,10)11/h9H,3-7H2,1-2H3
InChIKeyFTZXKQORONQDTQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.45
Rot. Bonds4

About N-[(4-methoxythian-4-yl)methyl]methanesulfonamide

N-[(4-methoxythian-4-yl)methyl]methanesulfonamide (PubChem CID 91816796) has the molecular formula C8H17NO3S2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(4-methoxythian-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxythian-4-yl)methyl]methanesulfonamide
PubChem CID91816796
Molecular FormulaC8H17NO3S2
Molecular Weight239.36 g/mol
Exact Mass239.06
IUPAC NameN-[(4-methoxythian-4-yl)methyl]methanesulfonamide
SMILESCOC1(CNS(C)(=O)=O)CCSCC1
InChIInChI=1S/C8H17NO3S2/c1-12-8(3-5-13-6-4-8)7-9-14(2,10)11/h9H,3-7H2,1-2H3
InChIKeyFTZXKQORONQDTQ-UHFFFAOYSA-N
XLogP0.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.45
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]methanesulfonamide?
The IUPAC name of N-[(4-methoxythian-4-yl)methyl]methanesulfonamide (CID 91816796) is N-[(4-methoxythian-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4-methoxythian-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4-methoxythian-4-yl)methyl]methanesulfonamide is COC1(CNS(C)(=O)=O)CCSCC1.
What is the InChIKey of N-[(4-methoxythian-4-yl)methyl]methanesulfonamide?
The InChIKey is FTZXKQORONQDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S2/c1-12-8(3-5-13-6-4-8)7-9-14(2,10)11/h9H,3-7H2,1-2H3.
What are the key properties of N-[(4-methoxythian-4-yl)methyl]methanesulfonamide?
N-[(4-methoxythian-4-yl)methyl]methanesulfonamide has a molecular weight of 239.36 g/mol, XLogP of 0.45, 4 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]methanesulfonamide is sourced from PubChem (CID 91816796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).