N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide

C12H25NO2S — CID 21439257

IUPACN-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide
SMILESCC1CCC(C(C)C)C(S(=O)NCCO)C1
InChIInChI=1S/C12H25NO2S/c1-9(2)11-5-4-10(3)8-12(11)16(15)13-6-7-14/h9-14H,4-8H2,1-3H3
InChIKeyXQABCMPKRIMGIC-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.69
Rot. Bonds5

About N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide

N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide (PubChem CID 21439257) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide
PubChem CID21439257
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide
SMILESCC1CCC(C(C)C)C(S(=O)NCCO)C1
InChIInChI=1S/C12H25NO2S/c1-9(2)11-5-4-10(3)8-12(11)16(15)13-6-7-14/h9-14H,4-8H2,1-3H3
InChIKeyXQABCMPKRIMGIC-UHFFFAOYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide?
The IUPAC name of N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide (CID 21439257) is N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide is CC1CCC(C(C)C)C(S(=O)NCCO)C1.
What is the InChIKey of N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide?
The InChIKey is XQABCMPKRIMGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-9(2)11-5-4-10(3)8-12(11)16(15)13-6-7-14/h9-14H,4-8H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide?
N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide has a molecular weight of 247.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide is sourced from PubChem (CID 21439257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).