[1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol

C14H29N3O3S — CID 79634530

IUPAC[1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C14H29N3O3S/c1-3-15-14(12-18)6-4-5-13(11-14)16-7-9-17(10-8-16)21(2,19)20/h13,15,18H,3-12H2,1-2H3
InChIKeyOKOCAEMWZIIPBN-UHFFFAOYSA-N
MW319.47 g/mol
LogP-0.15
Rot. Bonds5

About [1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol

[1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol (PubChem CID 79634530) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is [1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol
PubChem CID79634530
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name[1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C14H29N3O3S/c1-3-15-14(12-18)6-4-5-13(11-14)16-7-9-17(10-8-16)21(2,19)20/h13,15,18H,3-12H2,1-2H3
InChIKeyOKOCAEMWZIIPBN-UHFFFAOYSA-N
XLogP-0.15
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol?
The IUPAC name of [1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol (CID 79634530) is [1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol?
The canonical SMILES for [1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol is CCNC1(CO)CCCC(N2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of [1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol?
The InChIKey is OKOCAEMWZIIPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-3-15-14(12-18)6-4-5-13(11-14)16-7-9-17(10-8-16)21(2,19)20/h13,15,18H,3-12H2,1-2H3.
What are the key properties of [1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol?
[1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol has a molecular weight of 319.47 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 79634530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).