N-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide

C16H21N5O3S2 — CID 21070446

IUPACN-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide
SMILESCc1ccsc1C(=O)c1cnc(N(C2CCNCC2)S(C)(=O)=O)nc1N
InChIInChI=1S/C16H21N5O3S2/c1-10-5-8-25-14(10)13(22)12-9-19-16(20-15(12)17)21(26(2,23)24)11-3-6-18-7-4-11/h5,8-9,11,18H,3-4,6-7H2,1-2H3,(H2,17,19,20)
InChIKeyYTHKCLKDBSHTCG-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.18
Rot. Bonds5

About N-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide

N-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide (PubChem CID 21070446) has the molecular formula C16H21N5O3S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide
PubChem CID21070446
Molecular FormulaC16H21N5O3S2
Molecular Weight395.51 g/mol
Exact Mass395.11
IUPAC NameN-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide
SMILESCc1ccsc1C(=O)c1cnc(N(C2CCNCC2)S(C)(=O)=O)nc1N
InChIInChI=1S/C16H21N5O3S2/c1-10-5-8-25-14(10)13(22)12-9-19-16(20-15(12)17)21(26(2,23)24)11-3-6-18-7-4-11/h5,8-9,11,18H,3-4,6-7H2,1-2H3,(H2,17,19,20)
InChIKeyYTHKCLKDBSHTCG-UHFFFAOYSA-N
XLogP1.18
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.18
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-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide (CID 21070446) is N-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide is Cc1ccsc1C(=O)c1cnc(N(C2CCNCC2)S(C)(=O)=O)nc1N.
What is the InChIKey of N-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide?
The InChIKey is YTHKCLKDBSHTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S2/c1-10-5-8-25-14(10)13(22)12-9-19-16(20-15(12)17)21(26(2,23)24)11-3-6-18-7-4-11/h5,8-9,11,18H,3-4,6-7H2,1-2H3,(H2,17,19,20).
What are the key properties of N-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide?
N-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide has a molecular weight of 395.51 g/mol, XLogP of 1.18, 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-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 21070446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).