(3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C17H21N3O3S2 — CID 97488060

IUPAC(3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESO=S(=O)(c1cccs1)N1CCC2(CC1)C[C@H](Nc1ccccn1)CO2
InChIInChI=1S/C17H21N3O3S2/c21-25(22,16-5-3-11-24-16)20-9-6-17(7-10-20)12-14(13-23-17)19-15-4-1-2-8-18-15/h1-5,8,11,14H,6-7,9-10,12-13H2,(H,18,19)/t14-/m0/s1
InChIKeyQNFNBSUFKCSRQZ-AWEZNQCLSA-N
MW379.51 g/mol
LogP2.57
Rot. Bonds4

About (3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine

(3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 97488060) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is (3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID97488060
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name(3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESO=S(=O)(c1cccs1)N1CCC2(CC1)C[C@H](Nc1ccccn1)CO2
InChIInChI=1S/C17H21N3O3S2/c21-25(22,16-5-3-11-24-16)20-9-6-17(7-10-20)12-14(13-23-17)19-15-4-1-2-8-18-15/h1-5,8,11,14H,6-7,9-10,12-13H2,(H,18,19)/t14-/m0/s1
InChIKeyQNFNBSUFKCSRQZ-AWEZNQCLSA-N
XLogP2.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5R)-7-cyclopropylsulfonyl-N-pyridin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394531
(3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97486079
N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 131639657
7-thiophen-2-ylsulfonyl-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 131659830
(1-fluorocyclobutyl)-[3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 131686187
8-(oxolan-3-ylmethyl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 134078983
8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131659289
2-(dimethylamino)-1-[3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 134076712
(3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488035
8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67394620
N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155835589
(3S)-8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488342

Frequently Asked Questions

What is the IUPAC name of (3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 97488060) is (3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine is O=S(=O)(c1cccs1)N1CCC2(CC1)C[C@H](Nc1ccccn1)CO2.
What is the InChIKey of (3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is QNFNBSUFKCSRQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c21-25(22,16-5-3-11-24-16)20-9-6-17(7-10-20)12-14(13-23-17)19-15-4-1-2-8-18-15/h1-5,8,11,14H,6-7,9-10,12-13H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
(3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 379.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 97488060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).