N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C9H17N3S — CID 61465271

IUPACN-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCN1CCC(NC2=NCCCS2)C1
InChIInChI=1S/C9H17N3S/c1-12-5-3-8(7-12)11-9-10-4-2-6-13-9/h8H,2-7H2,1H3,(H,10,11)
InChIKeyVOFHYZMSHDTIPD-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.77
Rot. Bonds1

About N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 61465271) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID61465271
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCN1CCC(NC2=NCCCS2)C1
InChIInChI=1S/C9H17N3S/c1-12-5-3-8(7-12)11-9-10-4-2-6-13-9/h8H,2-7H2,1H3,(H,10,11)
InChIKeyVOFHYZMSHDTIPD-UHFFFAOYSA-N
XLogP0.77
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 61465271) is N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CN1CCC(NC2=NCCCS2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is VOFHYZMSHDTIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-12-5-3-8(7-12)11-9-10-4-2-6-13-9/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 199.32 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 61465271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).