1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine

C11H18ClN3O2S2 — CID 61044835

IUPAC1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN3O2S2/c1-14(2)8-9-3-5-15(6-4-9)19(16,17)10-7-13-11(12)18-10/h7,9H,3-6,8H2,1-2H3
InChIKeyZHZAVZDQHHHMIA-UHFFFAOYSA-N
MW323.87 g/mol
LogP1.76
Rot. Bonds4

About 1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 61044835) has the molecular formula C11H18ClN3O2S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID61044835
Molecular FormulaC11H18ClN3O2S2
Molecular Weight323.87 g/mol
Exact Mass323.05
IUPAC Name1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN3O2S2/c1-14(2)8-9-3-5-15(6-4-9)19(16,17)10-7-13-11(12)18-10/h7,9H,3-6,8H2,1-2H3
InChIKeyZHZAVZDQHHHMIA-UHFFFAOYSA-N
XLogP1.76
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 61044835) is 1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is ZHZAVZDQHHHMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S2/c1-14(2)8-9-3-5-15(6-4-9)19(16,17)10-7-13-11(12)18-10/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 323.87 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 61044835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).