(2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride

C9H22ClN3O3S — CID 119292329

IUPAC(2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride
SMILESCCS(=O)(=O)N(C)CCCNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C9H21N3O3S.ClH/c1-4-16(14,15)12(3)7-5-6-11-9(13)8(2)10;/h8H,4-7,10H2,1-3H3,(H,11,13);1H/t8-;/m0./s1
InChIKeyYEJMSUQXQGQOAN-QRPNPIFTSA-N
MW287.81 g/mol
LogP-0.46
Rot. Bonds7

About (2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride

(2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride (PubChem CID 119292329) has the molecular formula C9H22ClN3O3S and a molecular weight of 287.81 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride
PubChem CID119292329
Molecular FormulaC9H22ClN3O3S
Molecular Weight287.81 g/mol
Exact Mass287.11
IUPAC Name(2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride
SMILESCCS(=O)(=O)N(C)CCCNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C9H21N3O3S.ClH/c1-4-16(14,15)12(3)7-5-6-11-9(13)8(2)10;/h8H,4-7,10H2,1-3H3,(H,11,13);1H/t8-;/m0./s1
InChIKeyYEJMSUQXQGQOAN-QRPNPIFTSA-N
XLogP-0.46
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride
CID 119728954
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride
CID 119950038
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide
CID 119950039
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111125976
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179934

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride (CID 119292329) is (2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride is CCS(=O)(=O)N(C)CCCNC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride?
The InChIKey is YEJMSUQXQGQOAN-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H21N3O3S.ClH/c1-4-16(14,15)12(3)7-5-6-11-9(13)8(2)10;/h8H,4-7,10H2,1-3H3,(H,11,13);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride?
(2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride has a molecular weight of 287.81 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride is sourced from PubChem (CID 119292329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).