N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

C14H24N2S — CID 106363343

IUPACN-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCCC(CC1CC1)NC1=NC2CCCC2CS1
InChIInChI=1S/C14H24N2S/c1-2-12(8-10-6-7-10)15-14-16-13-5-3-4-11(13)9-17-14/h10-13H,2-9H2,1H3,(H,15,16)
InChIKeyKPMJVEPRBDUPNL-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.43
Rot. Bonds4

About N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 106363343) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID106363343
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCCC(CC1CC1)NC1=NC2CCCC2CS1
InChIInChI=1S/C14H24N2S/c1-2-12(8-10-6-7-10)15-14-16-13-5-3-4-11(13)9-17-14/h10-13H,2-9H2,1H3,(H,15,16)
InChIKeyKPMJVEPRBDUPNL-UHFFFAOYSA-N
XLogP3.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 106363343) is N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is CCC(CC1CC1)NC1=NC2CCCC2CS1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is KPMJVEPRBDUPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-2-12(8-10-6-7-10)15-14-16-13-5-3-4-11(13)9-17-14/h10-13H,2-9H2,1H3,(H,15,16).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 252.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 106363343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).