N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine

C19H28N4S — CID 67321453

IUPACN,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2c[nH]c3cc(N4CCSCC4)ccc23)C1
InChIInChI=1S/C19H28N4S/c1-21(2)17-5-6-22(14-17)13-15-12-20-19-11-16(3-4-18(15)19)23-7-9-24-10-8-23/h3-4,11-12,17,20H,5-10,13-14H2,1-2H3
InChIKeySWFPZUVHGQELKT-UHFFFAOYSA-N
MW344.53 g/mol
LogP2.86
Rot. Bonds4

About N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine

N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 67321453) has the molecular formula C19H28N4S and a molecular weight of 344.53 g/mol. Its IUPAC name is N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID67321453
Molecular FormulaC19H28N4S
Molecular Weight344.53 g/mol
Exact Mass344.20
IUPAC NameN,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2c[nH]c3cc(N4CCSCC4)ccc23)C1
InChIInChI=1S/C19H28N4S/c1-21(2)17-5-6-22(14-17)13-15-12-20-19-11-16(3-4-18(15)19)23-7-9-24-10-8-23/h3-4,11-12,17,20H,5-10,13-14H2,1-2H3
InChIKeySWFPZUVHGQELKT-UHFFFAOYSA-N
XLogP2.86
TPSA25.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine (CID 67321453) is N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine is CN(C)C1CCN(Cc2c[nH]c3cc(N4CCSCC4)ccc23)C1.
What is the InChIKey of N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is SWFPZUVHGQELKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4S/c1-21(2)17-5-6-22(14-17)13-15-12-20-19-11-16(3-4-18(15)19)23-7-9-24-10-8-23/h3-4,11-12,17,20H,5-10,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 344.53 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 67321453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).