N-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C12H22N2S2 — CID 166306123

IUPACN-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCN1CC2CCC(NC3CSCSC3)C2C1
InChIInChI=1S/C12H22N2S2/c1-14-4-9-2-3-12(11(9)5-14)13-10-6-15-8-16-7-10/h9-13H,2-8H2,1H3
InChIKeyCRIAVYYLDFSRJJ-UHFFFAOYSA-N
MW258.46 g/mol
LogP1.72
Rot. Bonds2

About N-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

N-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 166306123) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is N-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound NameN-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID166306123
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC NameN-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCN1CC2CCC(NC3CSCSC3)C2C1
InChIInChI=1S/C12H22N2S2/c1-14-4-9-2-3-12(11(9)5-14)13-10-6-15-8-16-7-10/h9-13H,2-8H2,1H3
InChIKeyCRIAVYYLDFSRJJ-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 122435320
(3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 167843392
N-(2-cyclopropylcyclopropyl)-1-methylpiperidin-4-amine
CID 130637185
N-(2-cyclopropylcyclobutyl)oxan-4-amine
CID 130616694
N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 134400309
4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 134400428
(3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 134400253
N-(3-methylcyclobutyl)bicyclo[3.1.0]hexan-2-amine
CID 130500238
N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 167861635
N-(2-ethylcyclohexyl)-1-methylazetidin-3-amine
CID 131160327
1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone
CID 177202410
3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 121205235

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of N-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 166306123) is N-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for N-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for N-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is CN1CC2CCC(NC3CSCSC3)C2C1.
What is the InChIKey of N-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is CRIAVYYLDFSRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S2/c1-14-4-9-2-3-12(11(9)5-14)13-10-6-15-8-16-7-10/h9-13H,2-8H2,1H3.
What are the key properties of N-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
N-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 258.46 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dithian-5-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 166306123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).