N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C10H19NOS — CID 107019425

IUPACN-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(C)(C)NC(=O)CC1(CS)CC1
InChIInChI=1S/C10H19NOS/c1-9(2,3)11-8(12)6-10(7-13)4-5-10/h13H,4-7H2,1-3H3,(H,11,12)
InChIKeyWMKIYJBLZGUFCG-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.00
Rot. Bonds3

About N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107019425) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107019425
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(C)(C)NC(=O)CC1(CS)CC1
InChIInChI=1S/C10H19NOS/c1-9(2,3)11-8(12)6-10(7-13)4-5-10/h13H,4-7H2,1-3H3,(H,11,12)
InChIKeyWMKIYJBLZGUFCG-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 106212672
CID 106212672
CID 23104770
CID 23104770
CID 87177502
CID 87177502
CID 88914151
CID 88914151
CID 89161980
CID 89161980
CID 89291164
CID 89291164
CID 90764188
CID 90764188
CID 123936847
CID 123936847
CID 137394717
CID 137394717
CID 137491922
CID 137491922
CID 105787746
CID 105787746
CID 106098596
CID 106098596

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107019425) is N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC(C)(C)NC(=O)CC1(CS)CC1.
What is the InChIKey of N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is WMKIYJBLZGUFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-9(2,3)11-8(12)6-10(7-13)4-5-10/h13H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 201.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107019425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).