6-amino-4-methyl-N-methylsulfonylhexanamide

C8H18N2O3S — CID 103287350

IUPAC6-amino-4-methyl-N-methylsulfonylhexanamide
SMILESCC(CCN)CCC(=O)NS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-7(5-6-9)3-4-8(11)10-14(2,12)13/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyVCXCUPOFVAIPJL-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.17
Rot. Bonds6

About 6-amino-4-methyl-N-methylsulfonylhexanamide

6-amino-4-methyl-N-methylsulfonylhexanamide (PubChem CID 103287350) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 6-amino-4-methyl-N-methylsulfonylhexanamide.

Molecular Properties

Compound Name6-amino-4-methyl-N-methylsulfonylhexanamide
PubChem CID103287350
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name6-amino-4-methyl-N-methylsulfonylhexanamide
SMILESCC(CCN)CCC(=O)NS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-7(5-6-9)3-4-8(11)10-14(2,12)13/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyVCXCUPOFVAIPJL-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

3-amino-N-methylsulfonylpropanamide
CID 14028235
5-amino-N-methylsulfonylpentanamide
CID 103287281
5-amino-N-ethylsulfonyl-4-methylpentanamide
CID 103306873
6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide
CID 107852731
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447
N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide
CID 66092063
3-bromo-N-methylsulfonylpropanamide
CID 22045909
9-amino-7-methylnonan-4-one
CID 116581538
6-amino-4-methyl-N-(2,2,3-trimethylbutyl)hexanamide
CID 114100113
5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid
CID 82847592
2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate
CID 83210194
6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide
CID 106230416

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-N-methylsulfonylhexanamide?
The IUPAC name of 6-amino-4-methyl-N-methylsulfonylhexanamide (CID 103287350) is 6-amino-4-methyl-N-methylsulfonylhexanamide.
What is the SMILES notation for 6-amino-4-methyl-N-methylsulfonylhexanamide?
The canonical SMILES for 6-amino-4-methyl-N-methylsulfonylhexanamide is CC(CCN)CCC(=O)NS(C)(=O)=O.
What is the InChIKey of 6-amino-4-methyl-N-methylsulfonylhexanamide?
The InChIKey is VCXCUPOFVAIPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-7(5-6-9)3-4-8(11)10-14(2,12)13/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 6-amino-4-methyl-N-methylsulfonylhexanamide?
6-amino-4-methyl-N-methylsulfonylhexanamide 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 6-amino-4-methyl-N-methylsulfonylhexanamide is sourced from PubChem (CID 103287350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).