4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide

C12H26N2OS — CID 66221221

IUPAC4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCSCC(C)(C)N
InChIInChI=1S/C12H26N2OS/c1-5-14(6-2)11(15)8-7-9-16-10-12(3,4)13/h5-10,13H2,1-4H3
InChIKeyYXGZOSCLWMYAJX-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.11
Rot. Bonds8

About 4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide

4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide (PubChem CID 66221221) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide
PubChem CID66221221
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCSCC(C)(C)N
InChIInChI=1S/C12H26N2OS/c1-5-14(6-2)11(15)8-7-9-16-10-12(3,4)13/h5-10,13H2,1-4H3
InChIKeyYXGZOSCLWMYAJX-UHFFFAOYSA-N
XLogP2.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide 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

(2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)-N-methylbutanamide
CID 121522565
(2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide
CID 18654747
N-(2-ethylsulfanylbutyl)butanamide
CID 19030920
3-[3-(Dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 23451991
N-(2-propylsulfanylethyl)butanamide
CID 23569763
4-[2-(Diethylamino)ethylsulfanyl]butanamide
CID 57089705
N-(3-ethylsulfanylbutyl)butanamide
CID 57108947
4-[2-(Diethylamino)propylsulfanyl]butanamide
CID 57118268
N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide
CID 58263770
4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide
CID 58264042
3-(3-Amino-2-methyl-3-oxopropyl)sulfanylpropyl-triethylazanium
CID 58971362
CID 59411859
CID 59411859

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide?
The IUPAC name of 4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide (CID 66221221) is 4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide?
The canonical SMILES for 4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide is CCN(CC)C(=O)CCCSCC(C)(C)N.
What is the InChIKey of 4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide?
The InChIKey is YXGZOSCLWMYAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-5-14(6-2)11(15)8-7-9-16-10-12(3,4)13/h5-10,13H2,1-4H3.
What are the key properties of 4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide?
4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide has a molecular weight of 246.42 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)sulfanyl-N,N-diethylbutanamide is sourced from PubChem (CID 66221221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).