N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide

C15H19N5O3S2 — CID 21070462

IUPACN-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide
SMILESCS(=O)(=O)N(c1ncc(C(=O)c2cccs2)c(N)n1)C1CCNCC1
InChIInChI=1S/C15H19N5O3S2/c1-25(22,23)20(10-4-6-17-7-5-10)15-18-9-11(14(16)19-15)13(21)12-3-2-8-24-12/h2-3,8-10,17H,4-7H2,1H3,(H2,16,18,19)
InChIKeyDPUPURBCOQOMHC-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.87
Rot. Bonds5

About N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide

N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide (PubChem CID 21070462) has the molecular formula C15H19N5O3S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide
PubChem CID21070462
Molecular FormulaC15H19N5O3S2
Molecular Weight381.48 g/mol
Exact Mass381.09
IUPAC NameN-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide
SMILESCS(=O)(=O)N(c1ncc(C(=O)c2cccs2)c(N)n1)C1CCNCC1
InChIInChI=1S/C15H19N5O3S2/c1-25(22,23)20(10-4-6-17-7-5-10)15-18-9-11(14(16)19-15)13(21)12-3-2-8-24-12/h2-3,8-10,17H,4-7H2,1H3,(H2,16,18,19)
InChIKeyDPUPURBCOQOMHC-UHFFFAOYSA-N
XLogP0.87
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide (CID 21070462) is N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide is CS(=O)(=O)N(c1ncc(C(=O)c2cccs2)c(N)n1)C1CCNCC1.
What is the InChIKey of N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide?
The InChIKey is DPUPURBCOQOMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S2/c1-25(22,23)20(10-4-6-17-7-5-10)15-18-9-11(14(16)19-15)13(21)12-3-2-8-24-12/h2-3,8-10,17H,4-7H2,1H3,(H2,16,18,19).
What are the key properties of N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide?
N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide has a molecular weight of 381.48 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 21070462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).