N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide

C9H20N2O3S — CID 107158792

IUPACN-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide
SMILESCC(C)CC(N)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-7(2)4-8(10)5-11-9(12)6-15(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyYNWDXDBOVYJBNU-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.48
Rot. Bonds6

About N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide

N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide (PubChem CID 107158792) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide
PubChem CID107158792
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide
SMILESCC(C)CC(N)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-7(2)4-8(10)5-11-9(12)6-15(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyYNWDXDBOVYJBNU-UHFFFAOYSA-N
XLogP-0.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-amino-4-methylpentyl]carbamic acid
CID 155804554
N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide
CID 66092063
N-(2-amino-4-methylpentyl)-2-methylpropanamide
CID 107158681
methyl N-(2-amino-4-methylpentyl)carbamate
CID 107158940
3-methyl-4-[(2-methylsulfonylacetyl)amino]butanoic acid
CID 81064138
N-(2-amino-4-methylpentyl)dodecanamide
CID 107158867
ethyl N-(2-amino-4-methylpentyl)carbamate
CID 107158934
N-(2-amino-4-methylpentyl)-2-cyclohexylacetamide
CID 107158692
(3S)-3-amino-5-methylhexane-1-sulfonic acid
CID 58052699
(3S)-3-[[(2R)-2-amino-4-methylpentyl]amino]-5-methylhexan-2-one
CID 59336792
N-(2-amino-4-methylpentyl)-2-(1-methoxycyclobutyl)acetamide
CID 107158751
N-(2-amino-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
CID 107158847

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide (CID 107158792) is N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide is CC(C)CC(N)CNC(=O)CS(C)(=O)=O.
What is the InChIKey of N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide?
The InChIKey is YNWDXDBOVYJBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-7(2)4-8(10)5-11-9(12)6-15(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide?
N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide has a molecular weight of 236.34 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 107158792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).