N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride

C9H19ClN2OS2 — CID 119524745

IUPACN-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)C1CSCCS1.Cl
InChIInChI=1S/C9H18N2OS2.ClH/c1-9(2,6-10)11-8(12)7-5-13-3-4-14-7;/h7H,3-6,10H2,1-2H3,(H,11,12);1H
InChIKeyVQBPCKPFKIWXPF-UHFFFAOYSA-N
MW270.85 g/mol
LogP1.11
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride (PubChem CID 119524745) has the molecular formula C9H19ClN2OS2 and a molecular weight of 270.85 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride
PubChem CID119524745
Molecular FormulaC9H19ClN2OS2
Molecular Weight270.85 g/mol
Exact Mass270.06
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)C1CSCCS1.Cl
InChIInChI=1S/C9H18N2OS2.ClH/c1-9(2,6-10)11-8(12)7-5-13-3-4-14-7;/h7H,3-6,10H2,1-2H3,(H,11,12);1H
InChIKeyVQBPCKPFKIWXPF-UHFFFAOYSA-N
XLogP1.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.85
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride (CID 119524745) is N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride is CC(C)(CN)NC(=O)C1CSCCS1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride?
The InChIKey is VQBPCKPFKIWXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS2.ClH/c1-9(2,6-10)11-8(12)7-5-13-3-4-14-7;/h7H,3-6,10H2,1-2H3,(H,11,12);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride has a molecular weight of 270.85 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119524745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).