N-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C9H18N2S — CID 43148928

IUPACN-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC(CC)NC1=NCCCS1
InChIInChI=1S/C9H18N2S/c1-3-8(4-2)11-9-10-6-5-7-12-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyNWRAPDUEQFLQRV-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.26
Rot. Bonds3

About N-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 43148928) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID43148928
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC(CC)NC1=NCCCS1
InChIInChI=1S/C9H18N2S/c1-3-8(4-2)11-9-10-6-5-7-12-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyNWRAPDUEQFLQRV-UHFFFAOYSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3707289
N-cyclohexyl-4,5-dihydro-1,3-thiazol-2-amine
CID 568661
N-Cyclohexyl-4,5-dihydro-5-methyl-2-thiazolamine
CID 2802274
Cyclohexyl-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-amine
CID 2363379
1,3-Diethyl-2-[2-(isopropylamino)ethyl]isothiourea
CID 469974
1,3-Diisopropyl-2-[2-(isopropylamino)ethyl]isothiourea
CID 469975
3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylsulfanyl)-propylamine
CID 651302
3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylsulfanyl)-propylamine hydrobromide
CID 6602989
N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3865137
N-(butan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383600
S-[3-(N,N-dimethyl-amino)propyl]-N,N'-di-n-butylisothiourea
CID 20213266
2-[6-[(E)-N,N'-diisopropylcarbamimidoyl]sulfanylhexyl]-1,3-diisopropyl-isothiourea
CID 437129

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 43148928) is N-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC(CC)NC1=NCCCS1.
What is the InChIKey of N-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is NWRAPDUEQFLQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-8(4-2)11-9-10-6-5-7-12-9/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 186.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 43148928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).