3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride

C10H21ClN2OS — CID 120500047

IUPAC3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NC1CCSCC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-7(8(2)11)10(13)12-9-3-5-14-6-4-9;/h7-9H,3-6,11H2,1-2H3,(H,12,13);1H
InChIKeySDPLAEQHUXGWNG-UHFFFAOYSA-N
MW252.81 g/mol
LogP1.40
Rot. Bonds3

About 3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride

3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride (PubChem CID 120500047) has the molecular formula C10H21ClN2OS and a molecular weight of 252.81 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride
PubChem CID120500047
Molecular FormulaC10H21ClN2OS
Molecular Weight252.81 g/mol
Exact Mass252.11
IUPAC Name3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NC1CCSCC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-7(8(2)11)10(13)12-9-3-5-14-6-4-9;/h7-9H,3-6,11H2,1-2H3,(H,12,13);1H
InChIKeySDPLAEQHUXGWNG-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride (CID 120500047) is 3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride is CC(N)C(C)C(=O)NC1CCSCC1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride?
The InChIKey is SDPLAEQHUXGWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS.ClH/c1-7(8(2)11)10(13)12-9-3-5-14-6-4-9;/h7-9H,3-6,11H2,1-2H3,(H,12,13);1H.
What are the key properties of 3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride?
3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride has a molecular weight of 252.81 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 120500047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).