N-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide

C8H18N2O5S2 — CID 106297762

IUPACN-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C8H18N2O5S2/c1-16(11,12)7-17(13,14)10-8(6-9)2-4-15-5-3-8/h10H,2-7,9H2,1H3
InChIKeyRPLQTEKEGMBYAR-UHFFFAOYSA-N
MW286.38 g/mol
LogP-1.58
Rot. Bonds5

About N-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide

N-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide (PubChem CID 106297762) has the molecular formula C8H18N2O5S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide
PubChem CID106297762
Molecular FormulaC8H18N2O5S2
Molecular Weight286.38 g/mol
Exact Mass286.07
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C8H18N2O5S2/c1-16(11,12)7-17(13,14)10-8(6-9)2-4-15-5-3-8/h10H,2-7,9H2,1H3
InChIKeyRPLQTEKEGMBYAR-UHFFFAOYSA-N
XLogP-1.58
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide (CID 106297762) is N-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NC1(CN)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is RPLQTEKEGMBYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S2/c1-16(11,12)7-17(13,14)10-8(6-9)2-4-15-5-3-8/h10H,2-7,9H2,1H3.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide?
N-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 286.38 g/mol, XLogP of -1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 106297762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).