N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine

C14H28N2S — CID 139315769

IUPACN,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
SMILESCC(C)(C)NC1CSC2CN(C(C)(C)C)CC12
InChIInChI=1S/C14H28N2S/c1-13(2,3)15-11-9-17-12-8-16(7-10(11)12)14(4,5)6/h10-12,15H,7-9H2,1-6H3
InChIKeyVCOXTWDYXOHDQR-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds1

About N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine

N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine (PubChem CID 139315769) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine.

Molecular Properties

Compound NameN,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
PubChem CID139315769
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
SMILESCC(C)(C)NC1CSC2CN(C(C)(C)C)CC12
InChIInChI=1S/C14H28N2S/c1-13(2,3)15-11-9-17-12-8-16(7-10(11)12)14(4,5)6/h10-12,15H,7-9H2,1-6H3
InChIKeyVCOXTWDYXOHDQR-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The IUPAC name of N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine (CID 139315769) is N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine.
What is the SMILES notation for N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The canonical SMILES for N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine is CC(C)(C)NC1CSC2CN(C(C)(C)C)CC12.
What is the InChIKey of N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The InChIKey is VCOXTWDYXOHDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-13(2,3)15-11-9-17-12-8-16(7-10(11)12)14(4,5)6/h10-12,15H,7-9H2,1-6H3.
What are the key properties of N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine has a molecular weight of 256.46 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine is sourced from PubChem (CID 139315769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).