[1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol

C14H29NO3S — CID 106723632

IUPAC[1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C14H29NO3S/c1-12-6-5-7-14(10-12,11-16)15-8-9-19(17,18)13(2,3)4/h12,15-16H,5-11H2,1-4H3
InChIKeyXLRAGVDRBJNZCD-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.73
Rot. Bonds5

About [1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol

[1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol (PubChem CID 106723632) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is [1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol
PubChem CID106723632
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name[1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C14H29NO3S/c1-12-6-5-7-14(10-12,11-16)15-8-9-19(17,18)13(2,3)4/h12,15-16H,5-11H2,1-4H3
InChIKeyXLRAGVDRBJNZCD-UHFFFAOYSA-N
XLogP1.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclohexyl-2-(2-ethylsulfonylethylamino)propan-1-ol
CID 72002654
2-Cyclohexyl-2-(3-methylsulfonylpropylamino)propan-1-ol
CID 72002656
2-Cyclohexyl-2-(2-methylsulfonylethylamino)propan-1-ol
CID 72002682
[3-Methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol
CID 113543850
3-{[1-(Hydroxymethyl)cyclohexyl]amino}propane-1-sulfonic acid
CID 59771467
3-[[1-(Hydroxymethyl)cyclohexyl]amino]propane-1-sulfinic acid
CID 142978426
[1-[(1,1-Dioxothian-4-yl)amino]cyclohexyl]methanol
CID 55082460
[1-(2-Ethylsulfonylethylamino)-4-methylcyclohexyl]methanol
CID 55086605
[1-[(1,1-Dioxothiolan-3-yl)amino]-3-methylcyclohexyl]methanol
CID 55086895
[1-(2-Ethylsulfonylethylamino)-3-methylcyclohexyl]methanol
CID 55087031
[1-(2-Ethylsulfonylethylamino)cyclopentyl]methanol
CID 62518644
[1-(2-Ethylsulfonylethylamino)cyclohexyl]methanol
CID 62520826

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol?
The IUPAC name of [1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol (CID 106723632) is [1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NCCS(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of [1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol?
The InChIKey is XLRAGVDRBJNZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-12-6-5-7-14(10-12,11-16)15-8-9-19(17,18)13(2,3)4/h12,15-16H,5-11H2,1-4H3.
What are the key properties of [1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol?
[1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol has a molecular weight of 291.46 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 106723632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).