3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide

C17H25N5O3S2 — CID 23401012

IUPAC3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(NS(C)(=O)=O)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C17H25N5O3S2/c1-3-4-10-9-12(20-17-13(10)14(18)15(26-17)16(19)23)22-7-5-11(6-8-22)21-27(2,24)25/h9,11,21H,3-8,18H2,1-2H3,(H2,19,23)
InChIKeyCREAHTMWKXOTPH-UHFFFAOYSA-N
MW411.55 g/mol
LogP1.45
Rot. Bonds6

About 3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23401012) has the molecular formula C17H25N5O3S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23401012
Molecular FormulaC17H25N5O3S2
Molecular Weight411.55 g/mol
Exact Mass411.14
IUPAC Name3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(NS(C)(=O)=O)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C17H25N5O3S2/c1-3-4-10-9-12(20-17-13(10)14(18)15(26-17)16(19)23)22-7-5-11(6-8-22)21-27(2,24)25/h9,11,21H,3-8,18H2,1-2H3,(H2,19,23)
InChIKeyCREAHTMWKXOTPH-UHFFFAOYSA-N
XLogP1.45
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 23401012) is 3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCC(NS(C)(=O)=O)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CREAHTMWKXOTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S2/c1-3-4-10-9-12(20-17-13(10)14(18)15(26-17)16(19)23)22-7-5-11(6-8-22)21-27(2,24)25/h9,11,21H,3-8,18H2,1-2H3,(H2,19,23).
What are the key properties of 3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23401012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).