(2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide

C7H16N2O2S — CID 169177275

IUPAC(2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide
SMILESC=C[C@H](CS(N)(=O)=O)NC(C)C
InChIInChI=1S/C7H16N2O2S/c1-4-7(9-6(2)3)5-12(8,10)11/h4,6-7,9H,1,5H2,2-3H3,(H2,8,10,11)/t7-/m1/s1
InChIKeyRKJCHWLQEXRSFD-SSDOTTSWSA-N
MW192.28 g/mol
LogP-0.17
Rot. Bonds5

About (2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide

(2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide (PubChem CID 169177275) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide
PubChem CID169177275
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide
SMILESC=C[C@H](CS(N)(=O)=O)NC(C)C
InChIInChI=1S/C7H16N2O2S/c1-4-7(9-6(2)3)5-12(8,10)11/h4,6-7,9H,1,5H2,2-3H3,(H2,8,10,11)/t7-/m1/s1
InChIKeyRKJCHWLQEXRSFD-SSDOTTSWSA-N
XLogP-0.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-but-3-enylsulfonyl-2-methylpiperazine
CID 99602422
3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide
CID 112740829
1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine
CID 60694991
1-(Prop-2-enylamino)prop-2-ene-1-sulfonamide
CID 87228344
1-(Prop-2-enylamino)ethanesulfonamide
CID 87255890
2-(Prop-2-enylamino)ethanesulfonamide
CID 87255892
sodium 2-[[(E)-but-2-enyl]amino]propane-1-sulfonate
CID 88114755
2-(Prop-2-enylamino)propane-1-sulfonic acid
CID 89112970
1-(Methylamino)prop-2-ene-1-sulfonamide
CID 130382694
2-(but-3-enylamino)-N,N-dimethylethanesulfonamide
CID 140863709
(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide
CID 167322847
[(E,2S)-4-sulfamoylbut-3-en-2-yl]azanium chloride
CID 10821425

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide?
The IUPAC name of (2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide (CID 169177275) is (2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide.
What is the SMILES notation for (2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide?
The canonical SMILES for (2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide is C=C[C@H](CS(N)(=O)=O)NC(C)C.
What is the InChIKey of (2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide?
The InChIKey is RKJCHWLQEXRSFD-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-4-7(9-6(2)3)5-12(8,10)11/h4,6-7,9H,1,5H2,2-3H3,(H2,8,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide?
(2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide is sourced from PubChem (CID 169177275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).