5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine

C8H16N2S — CID 145188275

IUPAC5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine
SMILESCC(C)NC1=C(N)SCCC1
InChIInChI=1S/C8H16N2S/c1-6(2)10-7-4-3-5-11-8(7)9/h6,10H,3-5,9H2,1-2H3
InChIKeyPNBTXPNEFMNKSY-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.64
Rot. Bonds2

About 5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine

5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine (PubChem CID 145188275) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine.

Molecular Properties

Compound Name5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine
PubChem CID145188275
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine
SMILESCC(C)NC1=C(N)SCCC1
InChIInChI=1S/C8H16N2S/c1-6(2)10-7-4-3-5-11-8(7)9/h6,10H,3-5,9H2,1-2H3
InChIKeyPNBTXPNEFMNKSY-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-5-propyl-3,4-dihydro-2H-1,4-thiazine
CID 85653077
(4S)-2-(aminomethylsulfanyl)-4-N-propylcyclohexene-1,4-diamine
CID 143653342
(4S)-2-(aminomethylsulfanyl)-1-N-methyl-4-N-propylcyclohexene-1,4-diamine
CID 143653343
ethane;N-(3-methylsulfanylpropyl)pent-1-en-2-amine
CID 155726328
Ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine
CID 164573527
ethane;4-ethyl-N,2-dimethyl-2,3-dihydro-1,3-thiazol-5-amine
CID 164573884
Ethane;6-methyl-5-methylsulfanyl-1,2,3,4-tetrahydropyridine
CID 164863042
5-methylsulfanyl-N-propan-2-ylpent-1-en-2-amine
CID 170109483
N-(3-methylsulfanylpropyl)pent-1-en-2-amine
CID 155726329

Frequently Asked Questions

What is the IUPAC name of 5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine?
The IUPAC name of 5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine (CID 145188275) is 5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine.
What is the SMILES notation for 5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine?
The canonical SMILES for 5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine is CC(C)NC1=C(N)SCCC1.
What is the InChIKey of 5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine?
The InChIKey is PNBTXPNEFMNKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-6(2)10-7-4-3-5-11-8(7)9/h6,10H,3-5,9H2,1-2H3.
What are the key properties of 5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine?
5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine has a molecular weight of 172.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propan-2-yl-3,4-dihydro-2H-thiopyran-5,6-diamine is sourced from PubChem (CID 145188275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).