N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine

C13H23NO2S — CID 141394628

IUPACN-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine
SMILESCOC1COCCC1N[C@H]1C[C@@H]2CCS[C@@H]2C1
InChIInChI=1S/C13H23NO2S/c1-15-12-8-16-4-2-11(12)14-10-6-9-3-5-17-13(9)7-10/h9-14H,2-8H2,1H3/t9-,10-,11?,12?,13+/m0/s1
InChIKeyDRFKFJURASKMMF-YJEBHAJESA-N
MW257.40 g/mol
LogP1.66
Rot. Bonds3

About N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine

N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine (PubChem CID 141394628) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine.

Molecular Properties

Compound NameN-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine
PubChem CID141394628
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine
SMILESCOC1COCCC1N[C@H]1C[C@@H]2CCS[C@@H]2C1
InChIInChI=1S/C13H23NO2S/c1-15-12-8-16-4-2-11(12)14-10-6-9-3-5-17-13(9)7-10/h9-14H,2-8H2,1H3/t9-,10-,11?,12?,13+/m0/s1
InChIKeyDRFKFJURASKMMF-YJEBHAJESA-N
XLogP1.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxycyclohexyl)oxolan-3-amine
CID 80717087
N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine
CID 131181570
trans-(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentane-1-carboxylic acid
CID 58629612
(3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 58035147
benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane
CID 142943067
4-chloro-3-methoxyoxane
CID 130632423
N-[(3R,4S)-3-methoxyoxan-4-yl]-1,3-benzothiazol-2-amine
CID 131926651
[3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone
CID 143164089
2-chloro-N-(3-methoxyoxan-4-yl)acetamide
CID 127013218
2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide
CID 91772450
N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine
CID 91793439
trans-benzyl (1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate
CID 58784515

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine?
The IUPAC name of N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine (CID 141394628) is N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine.
What is the SMILES notation for N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine?
The canonical SMILES for N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine is COC1COCCC1N[C@H]1C[C@@H]2CCS[C@@H]2C1.
What is the InChIKey of N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine?
The InChIKey is DRFKFJURASKMMF-YJEBHAJESA-N. The full InChI is InChI=1S/C13H23NO2S/c1-15-12-8-16-4-2-11(12)14-10-6-9-3-5-17-13(9)7-10/h9-14H,2-8H2,1H3/t9-,10-,11?,12?,13+/m0/s1.
What are the key properties of N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine?
N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine has a molecular weight of 257.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine is sourced from PubChem (CID 141394628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).