1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine

C15H19ClN2O2S2 — CID 120779638

IUPAC1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2csc3ccc(Cl)cc23)CCC1N
InChIInChI=1S/C15H19ClN2O2S2/c1-15(2)9-18(6-5-14(15)17)22(19,20)13-8-21-12-4-3-10(16)7-11(12)13/h3-4,7-8,14H,5-6,9,17H2,1-2H3
InChIKeyCKKUKFWSWGIVCM-UHFFFAOYSA-N
MW358.92 g/mol
LogP3.30
Rot. Bonds2

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

1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120779638) has the molecular formula C15H19ClN2O2S2 and a molecular weight of 358.92 g/mol. Its IUPAC name is 1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120779638
Molecular FormulaC15H19ClN2O2S2
Molecular Weight358.92 g/mol
Exact Mass358.06
IUPAC Name1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2csc3ccc(Cl)cc23)CCC1N
InChIInChI=1S/C15H19ClN2O2S2/c1-15(2)9-18(6-5-14(15)17)22(19,20)13-8-21-12-4-3-10(16)7-11(12)13/h3-4,7-8,14H,5-6,9,17H2,1-2H3
InChIKeyCKKUKFWSWGIVCM-UHFFFAOYSA-N
XLogP3.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine (CID 120779638) is 1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine is CC1(C)CN(S(=O)(=O)c2csc3ccc(Cl)cc23)CCC1N.
What is the InChIKey of 1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is CKKUKFWSWGIVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S2/c1-15(2)9-18(6-5-14(15)17)22(19,20)13-8-21-12-4-3-10(16)7-11(12)13/h3-4,7-8,14H,5-6,9,17H2,1-2H3.
What are the key properties of 1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine?
1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 358.92 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120779638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).