4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane

C17H28N2O3S — CID 131909737

IUPAC4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane
SMILESCN(C)S(=O)(=O)NCCC1(c2ccccc2)CCOC(C)(C)C1
InChIInChI=1S/C17H28N2O3S/c1-16(2)14-17(11-13-22-16,15-8-6-5-7-9-15)10-12-18-23(20,21)19(3)4/h5-9,18H,10-14H2,1-4H3
InChIKeySJXHWWSNTRDUTI-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.30
Rot. Bonds6

About 4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane

4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane (PubChem CID 131909737) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane.

Molecular Properties

Compound Name4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane
PubChem CID131909737
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane
SMILESCN(C)S(=O)(=O)NCCC1(c2ccccc2)CCOC(C)(C)C1
InChIInChI=1S/C17H28N2O3S/c1-16(2)14-17(11-13-22-16,15-8-6-5-7-9-15)10-12-18-23(20,21)19(3)4/h5-9,18H,10-14H2,1-4H3
InChIKeySJXHWWSNTRDUTI-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]benzenesulfonamide
CID 1076269
1-amino-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]cyclopropane-1-carboxamide
CID 56861115
3-tert-butyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]aniline
CID 53387394
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-propan-2-ylsulfanylacetamide
CID 126438751
3-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]benzoic acid
CID 53388189
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline
CID 53387392
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide
CID 90653265
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 77083886
(1S)-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylethanamine
CID 1341544
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 99939846
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138384882
4-N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-methylpyrimidine-4,6-diamine
CID 97132520

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane?
The IUPAC name of 4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane (CID 131909737) is 4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane.
What is the SMILES notation for 4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane?
The canonical SMILES for 4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane is CN(C)S(=O)(=O)NCCC1(c2ccccc2)CCOC(C)(C)C1.
What is the InChIKey of 4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane?
The InChIKey is SJXHWWSNTRDUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-16(2)14-17(11-13-22-16,15-8-6-5-7-9-15)10-12-18-23(20,21)19(3)4/h5-9,18H,10-14H2,1-4H3.
What are the key properties of 4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane?
4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane has a molecular weight of 340.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane is sourced from PubChem (CID 131909737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).