(3-tert-butylphenyl) N,N-dimethylsulfamate

C12H19NO3S — CID 23557573

IUPAC(3-tert-butylphenyl) N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H19NO3S/c1-12(2,3)10-7-6-8-11(9-10)16-17(14,15)13(4)5/h6-9H,1-5H3
InChIKeyJGMGLKQQUVXLGZ-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.17
Rot. Bonds3

About (3-tert-butylphenyl) N,N-dimethylsulfamate

(3-tert-butylphenyl) N,N-dimethylsulfamate (PubChem CID 23557573) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is (3-tert-butylphenyl) N,N-dimethylsulfamate.

Molecular Properties

Compound Name(3-tert-butylphenyl) N,N-dimethylsulfamate
PubChem CID23557573
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name(3-tert-butylphenyl) N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H19NO3S/c1-12(2,3)10-7-6-8-11(9-10)16-17(14,15)13(4)5/h6-9H,1-5H3
InChIKeyJGMGLKQQUVXLGZ-UHFFFAOYSA-N
XLogP2.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-tert-butylphenyl) trifluoromethanesulfonate
CID 22261847
(3,5-dimethoxyphenyl) N,N-dimethylsulfamate
CID 118351208
2-phenylpropan-2-yl N,N-dimethylsulfamate
CID 54182961
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
(3-tert-butylphenoxy)-tri(propan-2-yl)silane
CID 164678571
1-fluorosulfonyloxy-3-(trifluoromethyl)benzene
CID 71651266
(3-tert-butylphenoxy)-hydroxy-oxophosphanium
CID 122506507
alumane;1,3-ditert-butylbenzene
CID 174392215
1-(3-bromo-2,2-dimethylpropoxy)-3-tert-butylbenzene
CID 64995339
2-(3-tert-butylphenoxy)pyridine-3-sulfonamide
CID 115928484
2-amino-2-(3-methoxyphenyl)propanamide
CID 60795453

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylphenyl) N,N-dimethylsulfamate?
The IUPAC name of (3-tert-butylphenyl) N,N-dimethylsulfamate (CID 23557573) is (3-tert-butylphenyl) N,N-dimethylsulfamate.
What is the SMILES notation for (3-tert-butylphenyl) N,N-dimethylsulfamate?
The canonical SMILES for (3-tert-butylphenyl) N,N-dimethylsulfamate is CN(C)S(=O)(=O)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of (3-tert-butylphenyl) N,N-dimethylsulfamate?
The InChIKey is JGMGLKQQUVXLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-12(2,3)10-7-6-8-11(9-10)16-17(14,15)13(4)5/h6-9H,1-5H3.
What are the key properties of (3-tert-butylphenyl) N,N-dimethylsulfamate?
(3-tert-butylphenyl) N,N-dimethylsulfamate has a molecular weight of 257.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylphenyl) N,N-dimethylsulfamate is sourced from PubChem (CID 23557573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).