N-(1-butylsulfanylpropan-2-yl)acetamide

C9H19NOS — CID 23534472

IUPACN-(1-butylsulfanylpropan-2-yl)acetamide
SMILESCCCCSCC(C)NC(C)=O
InChIInChI=1S/C9H19NOS/c1-4-5-6-12-7-8(2)10-9(3)11/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyLAAWEACOBHEBTN-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.04
Rot. Bonds6

About N-(1-butylsulfanylpropan-2-yl)acetamide

N-(1-butylsulfanylpropan-2-yl)acetamide (PubChem CID 23534472) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-(1-butylsulfanylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-butylsulfanylpropan-2-yl)acetamide
PubChem CID23534472
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-(1-butylsulfanylpropan-2-yl)acetamide
SMILESCCCCSCC(C)NC(C)=O
InChIInChI=1S/C9H19NOS/c1-4-5-6-12-7-8(2)10-9(3)11/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyLAAWEACOBHEBTN-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-butylsulfanylpropan-2-yl)acetamide?
The IUPAC name of N-(1-butylsulfanylpropan-2-yl)acetamide (CID 23534472) is N-(1-butylsulfanylpropan-2-yl)acetamide.
What is the SMILES notation for N-(1-butylsulfanylpropan-2-yl)acetamide?
The canonical SMILES for N-(1-butylsulfanylpropan-2-yl)acetamide is CCCCSCC(C)NC(C)=O.
What is the InChIKey of N-(1-butylsulfanylpropan-2-yl)acetamide?
The InChIKey is LAAWEACOBHEBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-4-5-6-12-7-8(2)10-9(3)11/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(1-butylsulfanylpropan-2-yl)acetamide?
N-(1-butylsulfanylpropan-2-yl)acetamide has a molecular weight of 189.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylsulfanylpropan-2-yl)acetamide is sourced from PubChem (CID 23534472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).