methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate

C7H18N2O5S2 — CID 147917402

IUPACmethyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate
SMILESCOS(=O)(=O)NCC(C)CCNS(C)(=O)=O
InChIInChI=1S/C7H18N2O5S2/c1-7(4-5-8-15(3,10)11)6-9-16(12,13)14-2/h7-9H,4-6H2,1-3H3
InChIKeyIHIHAZHKJLFCHM-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.96
Rot. Bonds8

About methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate

methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate (PubChem CID 147917402) has the molecular formula C7H18N2O5S2 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate.

Molecular Properties

Compound Namemethyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate
PubChem CID147917402
Molecular FormulaC7H18N2O5S2
Molecular Weight274.36 g/mol
Exact Mass274.07
IUPAC Namemethyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate
SMILESCOS(=O)(=O)NCC(C)CCNS(C)(=O)=O
InChIInChI=1S/C7H18N2O5S2/c1-7(4-5-8-15(3,10)11)6-9-16(12,13)14-2/h7-9H,4-6H2,1-3H3
InChIKeyIHIHAZHKJLFCHM-UHFFFAOYSA-N
XLogP-0.96
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate?
The IUPAC name of methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate (CID 147917402) is methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate.
What is the SMILES notation for methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate?
The canonical SMILES for methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate is COS(=O)(=O)NCC(C)CCNS(C)(=O)=O.
What is the InChIKey of methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate?
The InChIKey is IHIHAZHKJLFCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O5S2/c1-7(4-5-8-15(3,10)11)6-9-16(12,13)14-2/h7-9H,4-6H2,1-3H3.
What are the key properties of methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate?
methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate has a molecular weight of 274.36 g/mol, XLogP of -0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate is sourced from PubChem (CID 147917402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).