[4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol

C12H25NO4S — CID 103713940

IUPAC[4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol
SMILESCC(C)(C)S(=O)(=O)CCNC1(CO)CCOCC1
InChIInChI=1S/C12H25NO4S/c1-11(2,3)18(15,16)9-6-13-12(10-14)4-7-17-8-5-12/h13-14H,4-10H2,1-3H3
InChIKeyBEDQIYDRLJKMDY-UHFFFAOYSA-N
MW279.40 g/mol
LogP0.33
Rot. Bonds5

About [4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol

[4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol (PubChem CID 103713940) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is [4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol
PubChem CID103713940
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name[4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol
SMILESCC(C)(C)S(=O)(=O)CCNC1(CO)CCOCC1
InChIInChI=1S/C12H25NO4S/c1-11(2,3)18(15,16)9-6-13-12(10-14)4-7-17-8-5-12/h13-14H,4-10H2,1-3H3
InChIKeyBEDQIYDRLJKMDY-UHFFFAOYSA-N
XLogP0.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol
CID 106723632
[4-(3-aminopropylamino)oxan-4-yl]methanol
CID 106297046
[4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 61044749
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide
CID 114170260
[4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol
CID 65080769
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol
CID 103878575
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
2-tert-butylsulfonylethylcarbamic acid
CID 87536259
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide
CID 106297544
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide
CID 104630382
5-[[4-(hydroxymethyl)oxan-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114169999
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide
CID 106298541

Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol (CID 103713940) is [4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol is CC(C)(C)S(=O)(=O)CCNC1(CO)CCOCC1.
What is the InChIKey of [4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol?
The InChIKey is BEDQIYDRLJKMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-11(2,3)18(15,16)9-6-13-12(10-14)4-7-17-8-5-12/h13-14H,4-10H2,1-3H3.
What are the key properties of [4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol?
[4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol has a molecular weight of 279.40 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol is sourced from PubChem (CID 103713940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).