(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide

C7H17N3O3S — CID 106337421

IUPAC(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C7H17N3O3S/c1-6(8)7(11)9-4-5-14(12,13)10(2)3/h6H,4-5,8H2,1-3H3,(H,9,11)/t6-/m0/s1
InChIKeyBHNBDTZZUOGBST-LURJTMIESA-N
MW223.30 g/mol
LogP-1.66
Rot. Bonds5

About (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide

(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide (PubChem CID 106337421) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
PubChem CID106337421
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C7H17N3O3S/c1-6(8)7(11)9-4-5-14(12,13)10(2)3/h6H,4-5,8H2,1-3H3,(H,9,11)/t6-/m0/s1
InChIKeyBHNBDTZZUOGBST-LURJTMIESA-N
XLogP-1.66
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
CID 106337551
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide
CID 114175289
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106335483
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide
CID 106337528
(2R)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337291
2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106338828
3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 114175825
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 106341239
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide (CID 106337421) is (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide is C[C@H](N)C(=O)NCCS(=O)(=O)N(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The InChIKey is BHNBDTZZUOGBST-LURJTMIESA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-6(8)7(11)9-4-5-14(12,13)10(2)3/h6H,4-5,8H2,1-3H3,(H,9,11)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide has a molecular weight of 223.30 g/mol, XLogP of -1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide is sourced from PubChem (CID 106337421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).