N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide

C12H25NOS — CID 88943998

IUPACN-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide
SMILESCCCSC(C)CC(=O)NCC(C)(C)C
InChIInChI=1S/C12H25NOS/c1-6-7-15-10(2)8-11(14)13-9-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyPLAICYORDWUCSB-UHFFFAOYSA-N
MW231.40 g/mol
LogP3.07
Rot. Bonds6

About N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide

N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide (PubChem CID 88943998) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide
PubChem CID88943998
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide
SMILESCCCSC(C)CC(=O)NCC(C)(C)C
InChIInChI=1S/C12H25NOS/c1-6-7-15-10(2)8-11(14)13-9-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyPLAICYORDWUCSB-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide (CID 88943998) is N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide is CCCSC(C)CC(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide?
The InChIKey is PLAICYORDWUCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-6-7-15-10(2)8-11(14)13-9-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14).
What are the key properties of N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide?
N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide has a molecular weight of 231.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide is sourced from PubChem (CID 88943998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).