N-[amino(sulfanyl)methyl]cyclopropanecarboxamide

C5H10N2OS — CID 89065583

IUPACN-[amino(sulfanyl)methyl]cyclopropanecarboxamide
SMILESNC(S)NC(=O)C1CC1
InChIInChI=1S/C5H10N2OS/c6-5(9)7-4(8)3-1-2-3/h3,5,9H,1-2,6H2,(H,7,8)
InChIKeyXAOOUVRMZQPRBT-UHFFFAOYSA-N
MW146.22 g/mol
LogP-0.32
Rot. Bonds2

About N-[amino(sulfanyl)methyl]cyclopropanecarboxamide

N-[amino(sulfanyl)methyl]cyclopropanecarboxamide (PubChem CID 89065583) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is N-[amino(sulfanyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[amino(sulfanyl)methyl]cyclopropanecarboxamide
PubChem CID89065583
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC NameN-[amino(sulfanyl)methyl]cyclopropanecarboxamide
SMILESNC(S)NC(=O)C1CC1
InChIInChI=1S/C5H10N2OS/c6-5(9)7-4(8)3-1-2-3/h3,5,9H,1-2,6H2,(H,7,8)
InChIKeyXAOOUVRMZQPRBT-UHFFFAOYSA-N
XLogP-0.32
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino(sulfanyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[amino(sulfanyl)methyl]cyclopropanecarboxamide (CID 89065583) is N-[amino(sulfanyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[amino(sulfanyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[amino(sulfanyl)methyl]cyclopropanecarboxamide is NC(S)NC(=O)C1CC1.
What is the InChIKey of N-[amino(sulfanyl)methyl]cyclopropanecarboxamide?
The InChIKey is XAOOUVRMZQPRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c6-5(9)7-4(8)3-1-2-3/h3,5,9H,1-2,6H2,(H,7,8).
What are the key properties of N-[amino(sulfanyl)methyl]cyclopropanecarboxamide?
N-[amino(sulfanyl)methyl]cyclopropanecarboxamide has a molecular weight of 146.22 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(sulfanyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 89065583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).