(4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane

C13H24N4O3S — CID 160626982

IUPAC(4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane
SMILESNC(=O)CC[C@H](N)C(=O)N1CCCC2(CCNC2=O)C1.S
InChIInChI=1S/C13H22N4O3.H2S/c14-9(2-3-10(15)18)11(19)17-7-1-4-13(8-17)5-6-16-12(13)20;/h9H,1-8,14H2,(H2,15,18)(H,16,20);1H2/t9-,13?;/m0./s1
InChIKeyRHKWWJAXGVMPIK-LEMICQRHSA-N
MW316.43 g/mol
LogP-1.18
Rot. Bonds4

About (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane

(4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane (PubChem CID 160626982) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane.

Molecular Properties

Compound Name(4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane
PubChem CID160626982
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name(4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane
SMILESNC(=O)CC[C@H](N)C(=O)N1CCCC2(CCNC2=O)C1.S
InChIInChI=1S/C13H22N4O3.H2S/c14-9(2-3-10(15)18)11(19)17-7-1-4-13(8-17)5-6-16-12(13)20;/h9H,1-8,14H2,(H2,15,18)(H,16,20);1H2/t9-,13?;/m0./s1
InChIKeyRHKWWJAXGVMPIK-LEMICQRHSA-N
XLogP-1.18
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S,5S)-N-(cyanomethyl)-N-ethyl-5-methyl-4-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide
CID 16064807
7-Methyl-2,7-diazaspiro(4.5)decan-6-one
CID 51072222
2-Methyl-2,7-diazaspiro[4.5]decan-1-one
CID 45074128
2-Isopropyl-2,7-diazaspiro[4.5]decan-1-one
CID 45074134
1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 124052802
1-[1-(3,3-Dimethylbutanoyl)piperidin-4-YL]-5-oxo-N-(propan-2-YL)pyrrolidine-2-carboxamide
CID 124078454
2-Isopropyl-2,7-diazaspiro[4.5]decan-1-one hydrochloride
CID 45074133
N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide
CID 97125471
(2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 164634146
(5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 163459439
1-[4-(dimethylcarbamoyl)-5-methylpyrrolidine-2-carbonyl]-N-methylpiperidine-4-carboxamide
CID 176433137
7-Methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56758345

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane?
The IUPAC name of (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane (CID 160626982) is (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane.
What is the SMILES notation for (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane?
The canonical SMILES for (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane is NC(=O)CC[C@H](N)C(=O)N1CCCC2(CCNC2=O)C1.S.
What is the InChIKey of (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane?
The InChIKey is RHKWWJAXGVMPIK-LEMICQRHSA-N. The full InChI is InChI=1S/C13H22N4O3.H2S/c14-9(2-3-10(15)18)11(19)17-7-1-4-13(8-17)5-6-16-12(13)20;/h9H,1-8,14H2,(H2,15,18)(H,16,20);1H2/t9-,13?;/m0./s1.
What are the key properties of (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane?
(4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane has a molecular weight of 316.43 g/mol, XLogP of -1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide;sulfane is sourced from PubChem (CID 160626982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).