(4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane

C16H25NO4S2 — CID 97451871

IUPAC(4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane
SMILESCC(C)OC[C@H]1CCC[C@]12CN(S(=O)(=O)c1cccs1)CCO2
InChIInChI=1S/C16H25NO4S2/c1-13(2)20-11-14-5-3-7-16(14)12-17(8-9-21-16)23(18,19)15-6-4-10-22-15/h4,6,10,13-14H,3,5,7-9,11-12H2,1-2H3/t14-,16+/m1/s1
InChIKeyNZMQPTHYRUFIOZ-ZBFHGGJFSA-N
MW359.51 g/mol
LogP2.73
Rot. Bonds5

About (4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane

(4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane (PubChem CID 97451871) has the molecular formula C16H25NO4S2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane
PubChem CID97451871
Molecular FormulaC16H25NO4S2
Molecular Weight359.51 g/mol
Exact Mass359.12
IUPAC Name(4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane
SMILESCC(C)OC[C@H]1CCC[C@]12CN(S(=O)(=O)c1cccs1)CCO2
InChIInChI=1S/C16H25NO4S2/c1-13(2)20-11-14-5-3-7-16(14)12-17(8-9-21-16)23(18,19)15-6-4-10-22-15/h4,6,10,13-14H,3,5,7-9,11-12H2,1-2H3/t14-,16+/m1/s1
InChIKeyNZMQPTHYRUFIOZ-ZBFHGGJFSA-N
XLogP2.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
CID 98776893
[(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97451891
2-methyl-4-thiophen-2-ylsulfonylmorpholine-2-carboxamide
CID 127247675
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
1-thiophen-2-ylsulfonylpiperidine
CID 765823
8-(4-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830285
(5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491293
(2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one
CID 95088696
(5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97471956
7-thiophen-2-ylsulfonyl-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 131659830
3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135547
1-(cyclopropylmethyl)-9-thiophen-2-ylsulfonyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495842

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane (CID 97451871) is (4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane is CC(C)OC[C@H]1CCC[C@]12CN(S(=O)(=O)c1cccs1)CCO2.
What is the InChIKey of (4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is NZMQPTHYRUFIOZ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H25NO4S2/c1-13(2)20-11-14-5-3-7-16(14)12-17(8-9-21-16)23(18,19)15-6-4-10-22-15/h4,6,10,13-14H,3,5,7-9,11-12H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of (4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane?
(4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 359.51 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97451871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).