7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

C17H28N4O3S — CID 72847978

IUPAC7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCn1nccc1S(=O)(=O)N1CCC2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C17H28N4O3S/c1-4-10-21-15(6-9-18-21)25(23,24)19-12-8-17(13-19)7-5-11-20(14(2)3)16(17)22/h6,9,14H,4-5,7-8,10-13H2,1-3H3
InChIKeyMHHYQPIMNPAHOH-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.70
Rot. Bonds5

About 7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72847978) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72847978
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCn1nccc1S(=O)(=O)N1CCC2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C17H28N4O3S/c1-4-10-21-15(6-9-18-21)25(23,24)19-12-8-17(13-19)7-5-11-20(14(2)3)16(17)22/h6,9,14H,4-5,7-8,10-13H2,1-3H3
InChIKeyMHHYQPIMNPAHOH-UHFFFAOYSA-N
XLogP1.70
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)sulfonyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72892530
2-[(1-ethyl-1H-pyrazol-5-yl)sulfonyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 72906404
2-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)sulfonyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 72906922
7-(cyclobutylmethyl)-2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72935620
7-isopropyl-2-[4-(1H-pyrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72936933
7-(cyclopropylmethyl)-2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72851233
(5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97114479
(5S)-7-(cyclopropylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97149981
1-methyl-2-oxo-8-[(1-propyl-1H-pyrazol-5-yl)sulfonyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72906007
1-Methyl-4-(2-propylpyrazol-3-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70783497
(4S)-4-amino-N,N-diethyl-1-[(1-ethyl-1H-pyrazol-5-yl)sulfonyl]-L-prolinamide
CID 70788230
7-(cyclopropylmethyl)-2-[(1-ethyl-1H-pyrazol-5-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72844150

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 72847978) is 7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is CCCn1nccc1S(=O)(=O)N1CCC2(CCCN(C(C)C)C2=O)C1.
What is the InChIKey of 7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MHHYQPIMNPAHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-4-10-21-15(6-9-18-21)25(23,24)19-12-8-17(13-19)7-5-11-20(14(2)3)16(17)22/h6,9,14H,4-5,7-8,10-13H2,1-3H3.
What are the key properties of 7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 368.50 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72847978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).