N-propan-2-yl-N-prop-2-enylethanesulfonamide

C8H17NO2S — CID 61354878

IUPACN-propan-2-yl-N-prop-2-enylethanesulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)CC
InChIInChI=1S/C8H17NO2S/c1-5-7-9(8(3)4)12(10,11)6-2/h5,8H,1,6-7H2,2-4H3
InChIKeyRTXPGPHVBXVCTE-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.23
Rot. Bonds5

About N-propan-2-yl-N-prop-2-enylethanesulfonamide

N-propan-2-yl-N-prop-2-enylethanesulfonamide (PubChem CID 61354878) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-propan-2-yl-N-prop-2-enylethanesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-2-enylethanesulfonamide
PubChem CID61354878
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-propan-2-yl-N-prop-2-enylethanesulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)CC
InChIInChI=1S/C8H17NO2S/c1-5-7-9(8(3)4)12(10,11)6-2/h5,8H,1,6-7H2,2-4H3
InChIKeyRTXPGPHVBXVCTE-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-propan-2-yl-N-prop-2-enylethanesulfonamide?
The IUPAC name of N-propan-2-yl-N-prop-2-enylethanesulfonamide (CID 61354878) is N-propan-2-yl-N-prop-2-enylethanesulfonamide.
What is the SMILES notation for N-propan-2-yl-N-prop-2-enylethanesulfonamide?
The canonical SMILES for N-propan-2-yl-N-prop-2-enylethanesulfonamide is C=CCN(C(C)C)S(=O)(=O)CC.
What is the InChIKey of N-propan-2-yl-N-prop-2-enylethanesulfonamide?
The InChIKey is RTXPGPHVBXVCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-5-7-9(8(3)4)12(10,11)6-2/h5,8H,1,6-7H2,2-4H3.
What are the key properties of N-propan-2-yl-N-prop-2-enylethanesulfonamide?
N-propan-2-yl-N-prop-2-enylethanesulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-prop-2-enylethanesulfonamide is sourced from PubChem (CID 61354878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).