(E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide

C11H21NO3S — CID 75394735

IUPAC(E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide
SMILESC/C=C/CS(=O)(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H21NO3S/c1-3-4-9-16(14,15)12(2)10-11(13)7-5-6-8-11/h3-4,13H,5-10H2,1-2H3/b4-3+
InChIKeyLUOSUDMNIIIGTC-ONEGZZNKSA-N
MW247.36 g/mol
LogP1.13
Rot. Bonds5

About (E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide

(E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide (PubChem CID 75394735) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is (E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide
PubChem CID75394735
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name(E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide
SMILESC/C=C/CS(=O)(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H21NO3S/c1-3-4-9-16(14,15)12(2)10-11(13)7-5-6-8-11/h3-4,13H,5-10H2,1-2H3/b4-3+
InChIKeyLUOSUDMNIIIGTC-ONEGZZNKSA-N
XLogP1.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide?
The IUPAC name of (E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide (CID 75394735) is (E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide?
The canonical SMILES for (E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide is C/C=C/CS(=O)(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of (E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide?
The InChIKey is LUOSUDMNIIIGTC-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-3-4-9-16(14,15)12(2)10-11(13)7-5-6-8-11/h3-4,13H,5-10H2,1-2H3/b4-3+.
What are the key properties of (E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide?
(E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide has a molecular weight of 247.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ene-1-sulfonamide is sourced from PubChem (CID 75394735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).