N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide

C11H24N2O2S — CID 107767316

IUPACN-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide
SMILESCCC(C)CS(=O)CC(=O)N(C)CCCN
InChIInChI=1S/C11H24N2O2S/c1-4-10(2)8-16(15)9-11(14)13(3)7-5-6-12/h10H,4-9,12H2,1-3H3
InChIKeyUDRVAMRXXQTNOY-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.59
Rot. Bonds8

About N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide

N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide (PubChem CID 107767316) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide
PubChem CID107767316
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide
SMILESCCC(C)CS(=O)CC(=O)N(C)CCCN
InChIInChI=1S/C11H24N2O2S/c1-4-10(2)8-16(15)9-11(14)13(3)7-5-6-12/h10H,4-9,12H2,1-3H3
InChIKeyUDRVAMRXXQTNOY-UHFFFAOYSA-N
XLogP0.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide
CID 81328932
N-(5-aminopentyl)-N,3-dimethylpentanamide
CID 107206770
N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide
CID 123117550
N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295435
N-(3-aminopropyl)-N-methyl-3-propan-2-ylsulfinylpropanamide
CID 81329073
ethyl 5-(2-methylbutylsulfinyl)-4-oxopentanoate
CID 107767867
N-(3-aminopropyl)-N-methyl-2-[2-methylpropyl(pentan-3-yl)amino]acetamide
CID 79483679
N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide
CID 123120146
N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43269272
N-(3-aminopropyl)-3-[ethyl(2-ethylbutyl)amino]-N-methylpropanamide
CID 43588424
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide (CID 107767316) is N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide is CCC(C)CS(=O)CC(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide?
The InChIKey is UDRVAMRXXQTNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-10(2)8-16(15)9-11(14)13(3)7-5-6-12/h10H,4-9,12H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide?
N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide has a molecular weight of 248.39 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide is sourced from PubChem (CID 107767316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).