N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C12H23NOS — CID 106331565

IUPACN-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCC(C)(CC)NC(=O)CC1(CS)CC1
InChIInChI=1S/C12H23NOS/c1-4-11(3,5-2)13-10(14)8-12(9-15)6-7-12/h15H,4-9H2,1-3H3,(H,13,14)
InChIKeyKGQCYNYVHBMKBA-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.78
Rot. Bonds6

About N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 106331565) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID106331565
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCC(C)(CC)NC(=O)CC1(CS)CC1
InChIInChI=1S/C12H23NOS/c1-4-11(3,5-2)13-10(14)8-12(9-15)6-7-12/h15H,4-9H2,1-3H3,(H,13,14)
InChIKeyKGQCYNYVHBMKBA-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 106331565) is N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CCC(C)(CC)NC(=O)CC1(CS)CC1.
What is the InChIKey of N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is KGQCYNYVHBMKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-4-11(3,5-2)13-10(14)8-12(9-15)6-7-12/h15H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 229.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 106331565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).