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

C10H22N2OS — CID 66228798

IUPAC4-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCSCC(C)(C)N
InChIInChI=1S/C10H22N2OS/c1-10(2,11)8-14-7-5-6-9(13)12(3)4/h5-8,11H2,1-4H3
InChIKeyYSEWEWNUURMHSL-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.33
Rot. Bonds6

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

4-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylbutanamide (PubChem CID 66228798) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylbutanamide
PubChem CID66228798
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name4-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCSCC(C)(C)N
InChIInChI=1S/C10H22N2OS/c1-10(2,11)8-14-7-5-6-9(13)12(3)4/h5-8,11H2,1-4H3
InChIKeyYSEWEWNUURMHSL-UHFFFAOYSA-N
XLogP1.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(Diethylamino)ethylsulfanyl]butanamide
CID 57089705
4-[2-(Diethylamino)propylsulfanyl]butanamide
CID 57118268
CID 58918893
CID 58918893
4-tert-butylsulfanyl-N-methylbutanamide
CID 59176785
CID 59866894
CID 59866894
2-[2-(Diethylamino)ethylsulfanyl]butanamide
CID 65668822
3-[3-(Dimethylamino)propylsulfanyl]propanamide
CID 88553394
N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide
CID 89340710
4-(dimethylamino)-3-ethylsulfanyl-N-methylbutanamide
CID 90339076
(2S)-3-(2-aminoethylsulfanyl)-N,N,2-trimethylpropanamide
CID 117937257
4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide
CID 126549367
4-(2-Amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one
CID 129257176

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylbutanamide?
The IUPAC name of 4-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylbutanamide (CID 66228798) is 4-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylbutanamide?
The canonical SMILES for 4-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylbutanamide is CN(C)C(=O)CCCSCC(C)(C)N.
What is the InChIKey of 4-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylbutanamide?
The InChIKey is YSEWEWNUURMHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-10(2,11)8-14-7-5-6-9(13)12(3)4/h5-8,11H2,1-4H3.
What are the key properties of 4-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylbutanamide?
4-(2-amino-2-methylpropyl)sulfanyl-N,N-dimethylbutanamide has a molecular weight of 218.37 g/mol, XLogP of 1.33, 6 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-dimethylbutanamide is sourced from PubChem (CID 66228798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).