4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride

C10H21ClN2OS — CID 119765675

IUPAC4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCSCC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-11-6-2-3-10(13)12-9-4-7-14-8-5-9;/h9,11H,2-8H2,1H3,(H,12,13);1H
InChIKeyTYDQTGGQZCMACI-UHFFFAOYSA-N
MW252.81 g/mol
LogP1.42
Rot. Bonds5

About 4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride

4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride (PubChem CID 119765675) has the molecular formula C10H21ClN2OS and a molecular weight of 252.81 g/mol. Its IUPAC name is 4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride
PubChem CID119765675
Molecular FormulaC10H21ClN2OS
Molecular Weight252.81 g/mol
Exact Mass252.11
IUPAC Name4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCSCC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-11-6-2-3-10(13)12-9-4-7-14-8-5-9;/h9,11H,2-8H2,1H3,(H,12,13);1H
InChIKeyTYDQTGGQZCMACI-UHFFFAOYSA-N
XLogP1.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride (CID 119765675) is 4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride is CNCCCC(=O)NC1CCSCC1.Cl.
What is the InChIKey of 4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride?
The InChIKey is TYDQTGGQZCMACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS.ClH/c1-11-6-2-3-10(13)12-9-4-7-14-8-5-9;/h9,11H,2-8H2,1H3,(H,12,13);1H.
What are the key properties of 4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride?
4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride has a molecular weight of 252.81 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 119765675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).