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

C10H16ClN3O2S2 — CID 43586022

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C10H16ClN3O2S2/c1-13(2)8-3-5-14(6-4-8)18(15,16)9-7-12-10(11)17-9/h7-8H,3-6H2,1-2H3
InChIKeyLVYXOUUVEQDUTI-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.51
Rot. Bonds3

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

1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 43586022) has the molecular formula C10H16ClN3O2S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine
PubChem CID43586022
Molecular FormulaC10H16ClN3O2S2
Molecular Weight309.84 g/mol
Exact Mass309.04
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C10H16ClN3O2S2/c1-13(2)8-3-5-14(6-4-8)18(15,16)9-7-12-10(11)17-9/h7-8H,3-6H2,1-2H3
InChIKeyLVYXOUUVEQDUTI-UHFFFAOYSA-N
XLogP1.51
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine (CID 43586022) is 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is LVYXOUUVEQDUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S2/c1-13(2)8-3-5-14(6-4-8)18(15,16)9-7-12-10(11)17-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine?
1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 309.84 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 43586022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).