1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine

C14H23N3O3S2 — CID 146145032

IUPAC1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine
SMILESO=S(=O)(C1CCOCC1)N1CCC(NCc2cnsc2)CC1
InChIInChI=1S/C14H23N3O3S2/c18-22(19,14-3-7-20-8-4-14)17-5-1-13(2-6-17)15-9-12-10-16-21-11-12/h10-11,13-15H,1-9H2
InChIKeyPJNYPUHSOATLAU-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.21
Rot. Bonds5

About 1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine

1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine (PubChem CID 146145032) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine
PubChem CID146145032
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC Name1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine
SMILESO=S(=O)(C1CCOCC1)N1CCC(NCc2cnsc2)CC1
InChIInChI=1S/C14H23N3O3S2/c18-22(19,14-3-7-20-8-4-14)17-5-1-13(2-6-17)15-9-12-10-16-21-11-12/h10-11,13-15H,1-9H2
InChIKeyPJNYPUHSOATLAU-UHFFFAOYSA-N
XLogP1.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 167752932
1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine
CID 154736430
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 86808103
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311693
6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133311673
4-chloro-1-(oxan-4-ylsulfonyl)piperidine
CID 63396412
1-[(2-methyl-3-pyridinyl)methyl]-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]urea
CID 132972772
N-[(2S,3R)-3-methylhex-5-en-2-yl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 97101499
N-[(2S,3S)-3-methylhex-5-en-2-yl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 97101498
1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 136513684
3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311648
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine
CID 133311667

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine (CID 146145032) is 1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine is O=S(=O)(C1CCOCC1)N1CCC(NCc2cnsc2)CC1.
What is the InChIKey of 1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine?
The InChIKey is PJNYPUHSOATLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c18-22(19,14-3-7-20-8-4-14)17-5-1-13(2-6-17)15-9-12-10-16-21-11-12/h10-11,13-15H,1-9H2.
What are the key properties of 1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine?
1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine has a molecular weight of 345.49 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 146145032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).