N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide

C11H20N2OS — CID 121203672

IUPACN-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide
SMILESCNCC(=O)N(C1CCSCC1)C1CC1
InChIInChI=1S/C11H20N2OS/c1-12-8-11(14)13(9-2-3-9)10-4-6-15-7-5-10/h9-10,12H,2-8H2,1H3
InChIKeyVRZNJQXPQSCODC-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.09
Rot. Bonds4

About N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide

N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide (PubChem CID 121203672) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide
PubChem CID121203672
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide
SMILESCNCC(=O)N(C1CCSCC1)C1CC1
InChIInChI=1S/C11H20N2OS/c1-12-8-11(14)13(9-2-3-9)10-4-6-15-7-5-10/h9-10,12H,2-8H2,1H3
InChIKeyVRZNJQXPQSCODC-UHFFFAOYSA-N
XLogP1.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide (CID 121203672) is N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide is CNCC(=O)N(C1CCSCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide?
The InChIKey is VRZNJQXPQSCODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-12-8-11(14)13(9-2-3-9)10-4-6-15-7-5-10/h9-10,12H,2-8H2,1H3.
What are the key properties of N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide?
N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide has a molecular weight of 228.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide is sourced from PubChem (CID 121203672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).