1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine

C14H19N3O2S2 — CID 120778982

IUPAC1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2ccc3ncsc3c2)CCC1N
InChIInChI=1S/C14H19N3O2S2/c1-14(2)8-17(6-5-13(14)15)21(18,19)10-3-4-11-12(7-10)20-9-16-11/h3-4,7,9,13H,5-6,8,15H2,1-2H3
InChIKeyCHIIRBMTMQEIOZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.04
Rot. Bonds2

About 1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine

1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine (PubChem CID 120778982) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
PubChem CID120778982
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2ccc3ncsc3c2)CCC1N
InChIInChI=1S/C14H19N3O2S2/c1-14(2)8-17(6-5-13(14)15)21(18,19)10-3-4-11-12(7-10)20-9-16-11/h3-4,7,9,13H,5-6,8,15H2,1-2H3
InChIKeyCHIIRBMTMQEIOZ-UHFFFAOYSA-N
XLogP2.04
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride
CID 120779790
3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride
CID 120779776
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779558
1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778940
3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine
CID 120779463
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779581
3,3-dimethyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779851
(3S,4S)-1-(1,3-benzothiazol-6-ylsulfonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122103834
3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine
CID 120779320
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
CID 114267693
N-[1-(1,3-benzothiazol-6-ylsulfonyl)-4-methylpiperidin-4-yl]prop-2-enamide
CID 89236543
6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole
CID 168798198

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine (CID 120778982) is 1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine is CC1(C)CN(S(=O)(=O)c2ccc3ncsc3c2)CCC1N.
What is the InChIKey of 1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine?
The InChIKey is CHIIRBMTMQEIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-14(2)8-17(6-5-13(14)15)21(18,19)10-3-4-11-12(7-10)20-9-16-11/h3-4,7,9,13H,5-6,8,15H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine?
1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120778982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).