N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

C9H17FN2S — CID 130504498

IUPACN-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCCCF)SC1
InChIInChI=1S/C9H17FN2S/c1-9(2)6-12-8(13-7-9)11-5-3-4-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyJALNNLNBYCBCLD-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.06
Rot. Bonds3

About N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 130504498) has the molecular formula C9H17FN2S and a molecular weight of 204.31 g/mol. Its IUPAC name is N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID130504498
Molecular FormulaC9H17FN2S
Molecular Weight204.31 g/mol
Exact Mass204.11
IUPAC NameN-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCCCF)SC1
InChIInChI=1S/C9H17FN2S/c1-9(2)6-12-8(13-7-9)11-5-3-4-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyJALNNLNBYCBCLD-UHFFFAOYSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.06
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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Related Compounds

N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3707289
N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3865137
S-[3-(N,N-dimethyl-amino)propyl]-N,N'-di-n-butylisothiourea
CID 20213266
N-Isobutyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383601
Carbamimidothioic acid, N,N'-dibutyl-, butyl ester, hydrobromide (1:1)
CID 21118814
2-aminoethyl N,N'-dibutylcarbamimidothioate
CID 113653
butyl N,N'-dibutylcarbamimidothioate
CID 21118815
N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 63227280
5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035053
N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943215
4-ethyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943218
4,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943226

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 130504498) is N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NCCCF)SC1.
What is the InChIKey of N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is JALNNLNBYCBCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2S/c1-9(2)6-12-8(13-7-9)11-5-3-4-10/h3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 204.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 130504498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).