2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride

C9H22ClN3O3S — CID 119704356

IUPAC2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCNS(C)(=O)=O.Cl
InChIInChI=1S/C9H21N3O3S.ClH/c1-4-7(2)8(10)9(13)11-5-6-12-16(3,14)15;/h7-8,12H,4-6,10H2,1-3H3,(H,11,13);1H
InChIKeyBGIIUKMRTHHGER-UHFFFAOYSA-N
MW287.81 g/mol
LogP-0.55
Rot. Bonds7

About 2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride

2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride (PubChem CID 119704356) has the molecular formula C9H22ClN3O3S and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride
PubChem CID119704356
Molecular FormulaC9H22ClN3O3S
Molecular Weight287.81 g/mol
Exact Mass287.11
IUPAC Name2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCNS(C)(=O)=O.Cl
InChIInChI=1S/C9H21N3O3S.ClH/c1-4-7(2)8(10)9(13)11-5-6-12-16(3,14)15;/h7-8,12H,4-6,10H2,1-3H3,(H,11,13);1H
InChIKeyBGIIUKMRTHHGER-UHFFFAOYSA-N
XLogP-0.55
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 5-0.55
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,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 61179210
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
2-[(2-amino-3-methylpentanoyl)amino]ethanesulfonic acid
CID 23189977
(2S)-2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-methylpentanamide
CID 103833076
2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide
CID 119704272
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
CID 62728659
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 63958849

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride (CID 119704356) is 2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCCNS(C)(=O)=O.Cl.
What is the InChIKey of 2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride?
The InChIKey is BGIIUKMRTHHGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S.ClH/c1-4-7(2)8(10)9(13)11-5-6-12-16(3,14)15;/h7-8,12H,4-6,10H2,1-3H3,(H,11,13);1H.
What are the key properties of 2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride has a molecular weight of 287.81 g/mol, XLogP of -0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119704356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).