2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide

C10H18N2OS — CID 130899053

IUPAC2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide
SMILESCC1SCCC1NC(=O)CC1(N)CC1
InChIInChI=1S/C10H18N2OS/c1-7-8(2-5-14-7)12-9(13)6-10(11)3-4-10/h7-8H,2-6,11H2,1H3,(H,12,13)
InChIKeyZXYMWQXDJKFWMS-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.88
Rot. Bonds3

About 2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide

2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide (PubChem CID 130899053) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide
PubChem CID130899053
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide
SMILESCC1SCCC1NC(=O)CC1(N)CC1
InChIInChI=1S/C10H18N2OS/c1-7-8(2-5-14-7)12-9(13)6-10(11)3-4-10/h7-8H,2-6,11H2,1H3,(H,12,13)
InChIKeyZXYMWQXDJKFWMS-UHFFFAOYSA-N
XLogP0.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide?
The IUPAC name of 2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide (CID 130899053) is 2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide?
The canonical SMILES for 2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide is CC1SCCC1NC(=O)CC1(N)CC1.
What is the InChIKey of 2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide?
The InChIKey is ZXYMWQXDJKFWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7-8(2-5-14-7)12-9(13)6-10(11)3-4-10/h7-8H,2-6,11H2,1H3,(H,12,13).
What are the key properties of 2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide?
2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide has a molecular weight of 214.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-N-(2-methylthiolan-3-yl)acetamide is sourced from PubChem (CID 130899053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).