N-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide

C11H24N2O3S — CID 54973943

IUPACN-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H24N2O3S/c1-9(2)12-7-8-17(15,16)13-10-3-5-11(14)6-4-10/h9-14H,3-8H2,1-2H3
InChIKeyUBQGTDXKZAVPEH-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.21
Rot. Bonds6

About N-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide

N-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 54973943) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID54973943
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H24N2O3S/c1-9(2)12-7-8-17(15,16)13-10-3-5-11(14)6-4-10/h9-14H,3-8H2,1-2H3
InChIKeyUBQGTDXKZAVPEH-UHFFFAOYSA-N
XLogP0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 54973943) is N-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide is CC(C)NCCS(=O)(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is UBQGTDXKZAVPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-9(2)12-7-8-17(15,16)13-10-3-5-11(14)6-4-10/h9-14H,3-8H2,1-2H3.
What are the key properties of N-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 54973943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).