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

C11H21NOS — CID 107019388

IUPACN-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCC(C)(C)NC(=O)CC1(CS)CC1
InChIInChI=1S/C11H21NOS/c1-4-10(2,3)12-9(13)7-11(8-14)5-6-11/h14H,4-8H2,1-3H3,(H,12,13)
InChIKeyJCGOPFPRBASHMJ-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.39
Rot. Bonds5

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

N-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107019388) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107019388
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCC(C)(C)NC(=O)CC1(CS)CC1
InChIInChI=1S/C11H21NOS/c1-4-10(2,3)12-9(13)7-11(8-14)5-6-11/h14H,4-8H2,1-3H3,(H,12,13)
InChIKeyJCGOPFPRBASHMJ-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.39
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-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107019388) is N-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CCC(C)(C)NC(=O)CC1(CS)CC1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is JCGOPFPRBASHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-4-10(2,3)12-9(13)7-11(8-14)5-6-11/h14H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 215.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107019388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).