4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine

C14H28N2S — CID 143716566

IUPAC4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine
SMILESCCCC1=C(C(CCC)CCCN)NCCS1
InChIInChI=1S/C14H28N2S/c1-3-6-12(8-5-9-15)14-13(7-4-2)17-11-10-16-14/h12,16H,3-11,15H2,1-2H3
InChIKeyXGCYCOKKWVEWLY-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.49
Rot. Bonds8

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

4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine (PubChem CID 143716566) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine.

Molecular Properties

Compound Name4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine
PubChem CID143716566
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine
SMILESCCCC1=C(C(CCC)CCCN)NCCS1
InChIInChI=1S/C14H28N2S/c1-3-6-12(8-5-9-15)14-13(7-4-2)17-11-10-16-14/h12,16H,3-11,15H2,1-2H3
InChIKeyXGCYCOKKWVEWLY-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropyl-3-isobutyl-5,6-dihydro-4H-1,4-thiazin
CID 12998653
5-heptyl-6-hexan-3-yl-3,4-dihydro-2H-1,4-thiazine
CID 71089024
N-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
CID 129016027
(2-Methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-7-yl)methanamine
CID 129016134
(2-Cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine
CID 134243556
10-Ethyl-2-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716334
5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine
CID 143716348
5-Ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
CID 143716398
2-Methyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716433
2-Ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716445
5,11-Dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
CID 143716495
6-methyl-5-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine
CID 143716509

Frequently Asked Questions

What is the IUPAC name of 4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine?
The IUPAC name of 4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine (CID 143716566) is 4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine.
What is the SMILES notation for 4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine?
The canonical SMILES for 4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine is CCCC1=C(C(CCC)CCCN)NCCS1.
What is the InChIKey of 4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine?
The InChIKey is XGCYCOKKWVEWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-6-12(8-5-9-15)14-13(7-4-2)17-11-10-16-14/h12,16H,3-11,15H2,1-2H3.
What are the key properties of 4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine?
4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine has a molecular weight of 256.46 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine is sourced from PubChem (CID 143716566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).