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

C10H18N2OS — CID 107296030

IUPAC1-amino-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC2CCSC2)CCC1
InChIInChI=1S/C10H18N2OS/c11-10(3-1-4-10)9(13)12-6-8-2-5-14-7-8/h8H,1-7,11H2,(H,12,13)
InChIKeyQXLYPLKVVKOETA-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.74
Rot. Bonds3

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

1-amino-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 107296030) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-amino-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide
PubChem CID107296030
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-amino-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC2CCSC2)CCC1
InChIInChI=1S/C10H18N2OS/c11-10(3-1-4-10)9(13)12-6-8-2-5-14-7-8/h8H,1-7,11H2,(H,12,13)
InChIKeyQXLYPLKVVKOETA-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
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-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide (CID 107296030) is 1-amino-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide is NC1(C(=O)NCC2CCSC2)CCC1.
What is the InChIKey of 1-amino-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is QXLYPLKVVKOETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c11-10(3-1-4-10)9(13)12-6-8-2-5-14-7-8/h8H,1-7,11H2,(H,12,13).
What are the key properties of 1-amino-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide?
1-amino-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 214.33 g/mol, XLogP of 0.74, 3 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-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 107296030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).