1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide

C9H16N2OS — CID 103063084

IUPAC1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)NC2CCSC2)CCC1
InChIInChI=1S/C9H16N2OS/c10-9(3-1-4-9)8(12)11-7-2-5-13-6-7/h7H,1-6,10H2,(H,11,12)
InChIKeyDIUDGNOMPONEER-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.49
Rot. Bonds2

About 1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide

1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide (PubChem CID 103063084) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide
PubChem CID103063084
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)NC2CCSC2)CCC1
InChIInChI=1S/C9H16N2OS/c10-9(3-1-4-9)8(12)11-7-2-5-13-6-7/h7H,1-6,10H2,(H,11,12)
InChIKeyDIUDGNOMPONEER-UHFFFAOYSA-N
XLogP0.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide (CID 103063084) is 1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide is NC1(C(=O)NC2CCSC2)CCC1.
What is the InChIKey of 1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide?
The InChIKey is DIUDGNOMPONEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c10-9(3-1-4-9)8(12)11-7-2-5-13-6-7/h7H,1-6,10H2,(H,11,12).
What are the key properties of 1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide?
1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide has a molecular weight of 200.31 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 103063084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).