(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide

C11H17N3O3S — CID 119279110

IUPAC(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17N3O3S/c1-9(12)11(15)13-7-8-14-18(16,17)10-5-3-2-4-6-10/h2-6,9,14H,7-8,12H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyOBRVOXODEBKKIJ-SECBINFHSA-N
MW271.34 g/mol
LogP-0.57
Rot. Bonds6

About (2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide

(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide (PubChem CID 119279110) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
PubChem CID119279110
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17N3O3S/c1-9(12)11(15)13-7-8-14-18(16,17)10-5-3-2-4-6-10/h2-6,9,14H,7-8,12H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyOBRVOXODEBKKIJ-SECBINFHSA-N
XLogP-0.57
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
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-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride
CID 119704283
2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide
CID 119704272
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide
CID 119279112
N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108572799
N-(4-aminopentyl)benzenesulfonamide
CID 106125730
2-[2-(benzenesulfonamido)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913396
N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide
CID 78852521
2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid
CID 113083408
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
(2S)-4-(benzenesulfonamido)-2-bromobutanoic acid
CID 131850599
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide (CID 119279110) is (2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide is C[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide?
The InChIKey is OBRVOXODEBKKIJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-9(12)11(15)13-7-8-14-18(16,17)10-5-3-2-4-6-10/h2-6,9,14H,7-8,12H2,1H3,(H,13,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide?
(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide has a molecular weight of 271.34 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide is sourced from PubChem (CID 119279110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).