(5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

C17H26N4O3S — CID 97114479

IUPAC(5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1cc(S(=O)(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cn1
InChIInChI=1S/C17H26N4O3S/c1-2-20-12-15(10-18-20)25(23,24)21-9-7-17(13-21)6-3-8-19(16(17)22)11-14-4-5-14/h10,12,14H,2-9,11,13H2,1H3/t17-/m0/s1
InChIKeyYFZVGTUIXKWNFZ-KRWDZBQOSA-N
MW366.49 g/mol
LogP1.32
Rot. Bonds5

About (5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97114479) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is (5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97114479
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name(5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1cc(S(=O)(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cn1
InChIInChI=1S/C17H26N4O3S/c1-2-20-12-15(10-18-20)25(23,24)21-9-7-17(13-21)6-3-8-19(16(17)22)11-14-4-5-14/h10,12,14H,2-9,11,13H2,1H3/t17-/m0/s1
InChIKeyYFZVGTUIXKWNFZ-KRWDZBQOSA-N
XLogP1.32
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 97114479) is (5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is CCn1cc(S(=O)(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cn1.
What is the InChIKey of (5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YFZVGTUIXKWNFZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-2-20-12-15(10-18-20)25(23,24)21-9-7-17(13-21)6-3-8-19(16(17)22)11-14-4-5-14/h10,12,14H,2-9,11,13H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 366.49 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97114479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).