N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide

C9H20N2O3S2 — CID 106340115

IUPACN-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide
SMILESCCNS(=O)(=O)CCNC(=O)C(S)C(C)C
InChIInChI=1S/C9H20N2O3S2/c1-4-11-16(13,14)6-5-10-9(12)8(15)7(2)3/h7-8,11,15H,4-6H2,1-3H3,(H,10,12)
InChIKeyFZGSJMUHOUEOQD-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.00
Rot. Bonds7

About N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide

N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide (PubChem CID 106340115) has the molecular formula C9H20N2O3S2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide
PubChem CID106340115
Molecular FormulaC9H20N2O3S2
Molecular Weight268.40 g/mol
Exact Mass268.09
IUPAC NameN-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide
SMILESCCNS(=O)(=O)CCNC(=O)C(S)C(C)C
InChIInChI=1S/C9H20N2O3S2/c1-4-11-16(13,14)6-5-10-9(12)8(15)7(2)3/h7-8,11,15H,4-6H2,1-3H3,(H,10,12)
InChIKeyFZGSJMUHOUEOQD-UHFFFAOYSA-N
XLogP-0.00
TPSA75.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
3-methyl-N-(2-methylsulfonylethyl)-2-sulfanylbutanamide
CID 107023632
3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide
CID 106335463
(2S)-2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-methylpentanamide
CID 103833076
N-[2-(ethylsulfamoyl)ethyl]-4-hydroxypentanamide
CID 106342894
(2S)-2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 113363904
2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106335462
2-(butan-2-ylamino)-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 114175247
2-amino-N-[2-(ethylsulfamoyl)ethyl]hexanamide
CID 103832741
3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid
CID 106340861
3-methyl-N-pentyl-2-sulfanylbutanamide
CID 107020320
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-sulfanylbutanamide
CID 107019789

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide?
The IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide (CID 106340115) is N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide.
What is the SMILES notation for N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide?
The canonical SMILES for N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide is CCNS(=O)(=O)CCNC(=O)C(S)C(C)C.
What is the InChIKey of N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide?
The InChIKey is FZGSJMUHOUEOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S2/c1-4-11-16(13,14)6-5-10-9(12)8(15)7(2)3/h7-8,11,15H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide?
N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide has a molecular weight of 268.40 g/mol, XLogP of -0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide is sourced from PubChem (CID 106340115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).