N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide

C9H19NO2S — CID 61384224

IUPACN-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)CCC
InChIInChI=1S/C9H19NO2S/c1-5-7-10(9(3)4)13(11,12)8-6-2/h5,9H,1,6-8H2,2-4H3
InChIKeyXOQUUEDKNCIYJH-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.62
Rot. Bonds6

About N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide

N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide (PubChem CID 61384224) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide
PubChem CID61384224
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)CCC
InChIInChI=1S/C9H19NO2S/c1-5-7-10(9(3)4)13(11,12)8-6-2/h5,9H,1,6-8H2,2-4H3
InChIKeyXOQUUEDKNCIYJH-UHFFFAOYSA-N
XLogP1.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.62
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-enylpropane-1-sulfonamide?
The IUPAC name of N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide (CID 61384224) is N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide.
What is the SMILES notation for N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide?
The canonical SMILES for N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide is C=CCN(C(C)C)S(=O)(=O)CCC.
What is the InChIKey of N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide?
The InChIKey is XOQUUEDKNCIYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-7-10(9(3)4)13(11,12)8-6-2/h5,9H,1,6-8H2,2-4H3.
What are the key properties of N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide?
N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.62, 6 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-enylpropane-1-sulfonamide is sourced from PubChem (CID 61384224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).