5-amino-N-ethylsulfonyl-4-methylpentanamide

C8H18N2O3S — CID 103306873

IUPAC5-amino-N-ethylsulfonyl-4-methylpentanamide
SMILESCCS(=O)(=O)NC(=O)CCC(C)CN
InChIInChI=1S/C8H18N2O3S/c1-3-14(12,13)10-8(11)5-4-7(2)6-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyCMHQDZQWJJZFRM-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.17
Rot. Bonds6

About 5-amino-N-ethylsulfonyl-4-methylpentanamide

5-amino-N-ethylsulfonyl-4-methylpentanamide (PubChem CID 103306873) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-amino-N-ethylsulfonyl-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-ethylsulfonyl-4-methylpentanamide
PubChem CID103306873
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name5-amino-N-ethylsulfonyl-4-methylpentanamide
SMILESCCS(=O)(=O)NC(=O)CCC(C)CN
InChIInChI=1S/C8H18N2O3S/c1-3-14(12,13)10-8(11)5-4-7(2)6-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyCMHQDZQWJJZFRM-UHFFFAOYSA-N
XLogP-0.17
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-4-methyl-N-methylsulfonylhexanamide
CID 103287350
(3S)-3-(aminomethyl)-N-ethylsulfonyl-5-methylhexanamide
CID 103307051
(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
CID 82689262
5-amino-N-heptan-2-yl-4-methylpentanamide
CID 82012192
N-ethylsulfonyl-2-(propan-2-ylamino)acetamide
CID 103306965
3-(ethylamino)-N-ethylsulfonylpropanamide
CID 103306787
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide
CID 82683387
2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid
CID 82689234
5-amino-N-(2,3-dimethylbutyl)-4-methylpentanamide
CID 82688279
2-(aminomethyl)-N-ethylsulfonylpentanamide
CID 103306734
methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011707
5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide
CID 82012399

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethylsulfonyl-4-methylpentanamide?
The IUPAC name of 5-amino-N-ethylsulfonyl-4-methylpentanamide (CID 103306873) is 5-amino-N-ethylsulfonyl-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-ethylsulfonyl-4-methylpentanamide?
The canonical SMILES for 5-amino-N-ethylsulfonyl-4-methylpentanamide is CCS(=O)(=O)NC(=O)CCC(C)CN.
What is the InChIKey of 5-amino-N-ethylsulfonyl-4-methylpentanamide?
The InChIKey is CMHQDZQWJJZFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-3-14(12,13)10-8(11)5-4-7(2)6-9/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 5-amino-N-ethylsulfonyl-4-methylpentanamide?
5-amino-N-ethylsulfonyl-4-methylpentanamide has a molecular weight of 222.31 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethylsulfonyl-4-methylpentanamide is sourced from PubChem (CID 103306873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).