N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H23N3S — CID 105419370

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC2(N(C)C)CCC2)SC1
InChIInChI=1S/C12H23N3S/c1-10-7-13-11(16-8-10)14-9-12(15(2)3)5-4-6-12/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyPTWFFJXKIFCIGV-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.80
Rot. Bonds3

About N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 105419370) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID105419370
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC2(N(C)C)CCC2)SC1
InChIInChI=1S/C12H23N3S/c1-10-7-13-11(16-8-10)14-9-12(15(2)3)5-4-6-12/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyPTWFFJXKIFCIGV-UHFFFAOYSA-N
XLogP1.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105419351
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154854
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285706
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154671
N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036243
N-(2-methoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102699426
5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 79363102
5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035935
5-methyl-N-(thiolan-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107297184
N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035873
N-(2,2-dimethylcyclobutyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 130556321
5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106420090

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 105419370) is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCC2(N(C)C)CCC2)SC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is PTWFFJXKIFCIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-10-7-13-11(16-8-10)14-9-12(15(2)3)5-4-6-12/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 241.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 105419370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).