4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide

C10H23N3O3S — CID 63891851

IUPAC4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide
SMILESCNC(=O)CCCNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-10(2,13-17(4,15)16)8-12-7-5-6-9(14)11-3/h12-13H,5-8H2,1-4H3,(H,11,14)
InChIKeyQXGNWVFEHAFCNO-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.57
Rot. Bonds8

About 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide

4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide (PubChem CID 63891851) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide
PubChem CID63891851
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide
SMILESCNC(=O)CCCNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-10(2,13-17(4,15)16)8-12-7-5-6-9(14)11-3/h12-13H,5-8H2,1-4H3,(H,11,14)
InChIKeyQXGNWVFEHAFCNO-UHFFFAOYSA-N
XLogP-0.57
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63860393
N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide
CID 83156501
methyl 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanoate
CID 63860915
N-[1-[3-(2-methoxyethoxy)propylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103409513
N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide
CID 63865751
N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide
CID 114333365
N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860753
N-[1-(2-ethoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858634
N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63859852
N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 106932132
methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate
CID 113436539

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide?
The IUPAC name of 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide (CID 63891851) is 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide.
What is the SMILES notation for 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide?
The canonical SMILES for 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide is CNC(=O)CCCNCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide?
The InChIKey is QXGNWVFEHAFCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-10(2,13-17(4,15)16)8-12-7-5-6-9(14)11-3/h12-13H,5-8H2,1-4H3,(H,11,14).
What are the key properties of 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide?
4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide has a molecular weight of 265.38 g/mol, XLogP of -0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide is sourced from PubChem (CID 63891851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).