4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol

C13H28N2O3S — CID 60665955

IUPAC4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol
SMILESCCN(CC)CCCC(C)NC1CS(=O)(=O)CC1O
InChIInChI=1S/C13H28N2O3S/c1-4-15(5-2)8-6-7-11(3)14-12-9-19(17,18)10-13(12)16/h11-14,16H,4-10H2,1-3H3
InChIKeyKYRPTBIFPQKNJH-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.24
Rot. Bonds8

About 4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol

4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol (PubChem CID 60665955) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol
PubChem CID60665955
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol
SMILESCCN(CC)CCCC(C)NC1CS(=O)(=O)CC1O
InChIInChI=1S/C13H28N2O3S/c1-4-15(5-2)8-6-7-11(3)14-12-9-19(17,18)10-13(12)16/h11-14,16H,4-10H2,1-3H3
InChIKeyKYRPTBIFPQKNJH-UHFFFAOYSA-N
XLogP0.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-4-[[(2R)-6-methylheptan-2-yl]amino]-1,1-dioxothiolan-3-ol
CID 51971516
4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine
CID 103438826
4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol
CID 102995842
1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol
CID 55149563
1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine
CID 79956626
1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine
CID 43761171
1-[5-(diethylamino)pentan-2-yl]-3-[(1,1-dioxothiolan-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 111000160
2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]butanoic acid
CID 2772249
2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile
CID 62741280
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
(3R,4R)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
CID 1239637
N-[5-(diethylamino)pentan-2-yl]-3-methylpiperidine-1-carboxamide
CID 116653952

Frequently Asked Questions

What is the IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol (CID 60665955) is 4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol is CCN(CC)CCCC(C)NC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol?
The InChIKey is KYRPTBIFPQKNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-15(5-2)8-6-7-11(3)14-12-9-19(17,18)10-13(12)16/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol?
4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol has a molecular weight of 292.44 g/mol, XLogP of 0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60665955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).