N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H24N2S — CID 7062705

IUPACN-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC[C@H](C)CCCCNC1=NCCCS1
InChIInChI=1S/C12H24N2S/c1-3-11(2)7-4-5-8-13-12-14-9-6-10-15-12/h11H,3-10H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyPVMDQZFDLAEDFH-NSHDSACASA-N
MW228.40 g/mol
LogP3.29
Rot. Bonds6

About N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 7062705) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID7062705
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC[C@H](C)CCCCNC1=NCCCS1
InChIInChI=1S/C12H24N2S/c1-3-11(2)7-4-5-8-13-12-14-9-6-10-15-12/h11H,3-10H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyPVMDQZFDLAEDFH-NSHDSACASA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
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 N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 7062705) is N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC[C@H](C)CCCCNC1=NCCCS1.
What is the InChIKey of N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is PVMDQZFDLAEDFH-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2S/c1-3-11(2)7-4-5-8-13-12-14-9-6-10-15-12/h11H,3-10H2,1-2H3,(H,13,14)/t11-/m0/s1.
What are the key properties of N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 228.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 7062705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).