N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide

C14H21ClN4O2S — CID 133418654

IUPACN-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C14H21ClN4O2S/c1-2-22(20,21)18-11-5-7-19(8-6-11)13-9-12(15)16-14(17-13)10-3-4-10/h9-11,18H,2-8H2,1H3
InChIKeyIVCYVGKODNWTGE-UHFFFAOYSA-N
MW344.87 g/mol
LogP1.92
Rot. Bonds5

About N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide

N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide (PubChem CID 133418654) has the molecular formula C14H21ClN4O2S and a molecular weight of 344.87 g/mol. Its IUPAC name is N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide
PubChem CID133418654
Molecular FormulaC14H21ClN4O2S
Molecular Weight344.87 g/mol
Exact Mass344.11
IUPAC NameN-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C14H21ClN4O2S/c1-2-22(20,21)18-11-5-7-19(8-6-11)13-9-12(15)16-14(17-13)10-3-4-10/h9-11,18H,2-8H2,1H3
InChIKeyIVCYVGKODNWTGE-UHFFFAOYSA-N
XLogP1.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide (CID 133418654) is N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(c2cc(Cl)nc(C3CC3)n2)CC1.
What is the InChIKey of N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is IVCYVGKODNWTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2S/c1-2-22(20,21)18-11-5-7-19(8-6-11)13-9-12(15)16-14(17-13)10-3-4-10/h9-11,18H,2-8H2,1H3.
What are the key properties of N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide?
N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 344.87 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 133418654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).