6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide

C11H25N3O3S — CID 63865751

IUPAC6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide
SMILESCC(C)(CNC(=O)CCCCCN)NS(C)(=O)=O
InChIInChI=1S/C11H25N3O3S/c1-11(2,14-18(3,16)17)9-13-10(15)7-5-4-6-8-12/h14H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyCCHJHQWZVFULDT-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.05
Rot. Bonds9

About 6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide

6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide (PubChem CID 63865751) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide
PubChem CID63865751
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide
SMILESCC(C)(CNC(=O)CCCCCN)NS(C)(=O)=O
InChIInChI=1S/C11H25N3O3S/c1-11(2,14-18(3,16)17)9-13-10(15)7-5-4-6-8-12/h14H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyCCHJHQWZVFULDT-UHFFFAOYSA-N
XLogP-0.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.05
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

7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
CID 79550577
5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide
CID 122081032
6-amino-N-[2-(dimethylamino)-2-methylpropyl]hexanamide
CID 61249637
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
N-[2-(methanesulfonamido)-2-methylpropyl]-2-methoxyacetamide
CID 63902886
5-amino-N-methylsulfonylpentanamide
CID 103287281
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide
CID 24701938
7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235
6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide
CID 24697839
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide?
The IUPAC name of 6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide (CID 63865751) is 6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide.
What is the SMILES notation for 6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide?
The canonical SMILES for 6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide is CC(C)(CNC(=O)CCCCCN)NS(C)(=O)=O.
What is the InChIKey of 6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide?
The InChIKey is CCHJHQWZVFULDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-11(2,14-18(3,16)17)9-13-10(15)7-5-4-6-8-12/h14H,4-9,12H2,1-3H3,(H,13,15).
What are the key properties of 6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide?
6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide has a molecular weight of 279.41 g/mol, XLogP of -0.05, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide is sourced from PubChem (CID 63865751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).