(2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride

C14H18ClN3O3S — CID 70091262

IUPAC(2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride
SMILESC=CCS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O.Cl
InChIInChI=1S/C14H17N3O3S.ClH/c1-2-7-21(19,20)17-13(14(15)18)8-10-9-16-12-6-4-3-5-11(10)12;/h2-6,9,13,16-17H,1,7-8H2,(H2,15,18);1H/t13-;/m0./s1
InChIKeyXXOXVEGNNYVYRL-ZOWNYOTGSA-N
MW343.84 g/mol
LogP1.09
Rot. Bonds7

About (2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride

(2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride (PubChem CID 70091262) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is (2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride
PubChem CID70091262
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC Name(2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride
SMILESC=CCS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O.Cl
InChIInChI=1S/C14H17N3O3S.ClH/c1-2-7-21(19,20)17-13(14(15)18)8-10-9-16-12-6-4-3-5-11(10)12;/h2-6,9,13,16-17H,1,7-8H2,(H2,15,18);1H/t13-;/m0./s1
InChIKeyXXOXVEGNNYVYRL-ZOWNYOTGSA-N
XLogP1.09
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 142635284
methyl (2R)-2-[(4-ethenylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate
CID 11794436
5-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 166842954
(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
CID 91153843
2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide
CID 175938556
(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 2211096
N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylpentanamide
CID 129132728
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]formamide
CID 123425108
[(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium
CID 7006688
(2R)-2-(difluoromethylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid
CID 29276544
2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 18979112
2-(1-fluoroprop-2-enylamino)-3-(1H-indol-3-yl)propanoic acid
CID 70118137

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride?
The IUPAC name of (2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride (CID 70091262) is (2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride.
What is the SMILES notation for (2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride?
The canonical SMILES for (2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride is C=CCS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O.Cl.
What is the InChIKey of (2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride?
The InChIKey is XXOXVEGNNYVYRL-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H17N3O3S.ClH/c1-2-7-21(19,20)17-13(14(15)18)8-10-9-16-12-6-4-3-5-11(10)12;/h2-6,9,13,16-17H,1,7-8H2,(H2,15,18);1H/t13-;/m0./s1.
What are the key properties of (2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride?
(2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride has a molecular weight of 343.84 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride is sourced from PubChem (CID 70091262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).