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

C9H19NO2S — CID 61354877

IUPACN-propan-2-yl-N-prop-2-enylpropane-2-sulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO2S/c1-6-7-10(8(2)3)13(11,12)9(4)5/h6,8-9H,1,7H2,2-5H3
InChIKeyNKFIKAFYPVPLMV-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.62
Rot. Bonds5

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

N-propan-2-yl-N-prop-2-enylpropane-2-sulfonamide (PubChem CID 61354877) 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-2-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-2-enylpropane-2-sulfonamide
PubChem CID61354877
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-propan-2-yl-N-prop-2-enylpropane-2-sulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO2S/c1-6-7-10(8(2)3)13(11,12)9(4)5/h6,8-9H,1,7H2,2-5H3
InChIKeyNKFIKAFYPVPLMV-UHFFFAOYSA-N
XLogP1.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

3-(N,N-diallyl-N-methylammonio)-propanesulfonate
CID 59435291
N,N-Bis(1-methylethyl)ethenesulfonamide
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Allyldimethyl(3-sulphonatopropyl)ammonium
CID 3022596
n,n-Diethylprop-2-ene-1-sulfonamide
CID 261061
N-methyl-N-prop-2-enylethenesulfonamide
CID 134859531
N,N-bis(prop-2-enyl)prop-2-ene-1-sulfonamide
CID 15418409
N,N-diallyl-isobutylsulfonamide
CID 20324729
Methyl-bis(prop-2-enyl)-(2-sulfoethyl)azanium
CID 21885268
N-ethyl-N-methylprop-2-ene-1-sulfonamide
CID 22094767
N,N-dibutylprop-2-ene-1-sulfonamide
CID 54062631
N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide
CID 66752908
1-Pentylsulfonyl-2,5-dihydropyrrole
CID 67897710

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-prop-2-enylpropane-2-sulfonamide?
The IUPAC name of N-propan-2-yl-N-prop-2-enylpropane-2-sulfonamide (CID 61354877) is N-propan-2-yl-N-prop-2-enylpropane-2-sulfonamide.
What is the SMILES notation for N-propan-2-yl-N-prop-2-enylpropane-2-sulfonamide?
The canonical SMILES for N-propan-2-yl-N-prop-2-enylpropane-2-sulfonamide is C=CCN(C(C)C)S(=O)(=O)C(C)C.
What is the InChIKey of N-propan-2-yl-N-prop-2-enylpropane-2-sulfonamide?
The InChIKey is NKFIKAFYPVPLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-6-7-10(8(2)3)13(11,12)9(4)5/h6,8-9H,1,7H2,2-5H3.
What are the key properties of N-propan-2-yl-N-prop-2-enylpropane-2-sulfonamide?
N-propan-2-yl-N-prop-2-enylpropane-2-sulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.62, 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-enylpropane-2-sulfonamide is sourced from PubChem (CID 61354877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).