N-heptan-4-yl-1,1-dioxothiolan-3-amine

C11H23NO2S — CID 43191007

IUPACN-heptan-4-yl-1,1-dioxothiolan-3-amine
SMILESCCCC(CCC)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H23NO2S/c1-3-5-10(6-4-2)12-11-7-8-15(13,14)9-11/h10-12H,3-9H2,1-2H3
InChIKeyGTFSBAVEZJQDQZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.73
Rot. Bonds6

About N-heptan-4-yl-1,1-dioxothiolan-3-amine

N-heptan-4-yl-1,1-dioxothiolan-3-amine (PubChem CID 43191007) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-heptan-4-yl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-heptan-4-yl-1,1-dioxothiolan-3-amine
PubChem CID43191007
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-heptan-4-yl-1,1-dioxothiolan-3-amine
SMILESCCCC(CCC)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H23NO2S/c1-3-5-10(6-4-2)12-11-7-8-15(13,14)9-11/h10-12H,3-9H2,1-2H3
InChIKeyGTFSBAVEZJQDQZ-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptan-4-yl-1,1-dioxothian-4-amine
CID 43615035
N-octan-4-yl-1,1-dioxothian-4-amine
CID 106023054
N-hexan-2-yl-1,1-dioxothiolan-3-amine
CID 43757079
N-(5-methylheptan-3-yl)-1,1-dioxothiolan-3-amine
CID 43191011
N-hept-6-en-3-yl-1,1-dioxothiolan-3-amine
CID 115707649
(3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine
CID 93281259
2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
CID 61058037
(2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]butanoic acid
CID 7058941
1-(1,1-dioxothiolan-3-yl)-N-propylpentan-2-amine
CID 61058899
2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide
CID 43112784
N-(1-methylsulfanylbutan-2-yl)-1,1-dioxothian-3-amine
CID 115901614
(3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine
CID 97358805

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-heptan-4-yl-1,1-dioxothiolan-3-amine (CID 43191007) is N-heptan-4-yl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-heptan-4-yl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-heptan-4-yl-1,1-dioxothiolan-3-amine is CCCC(CCC)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-heptan-4-yl-1,1-dioxothiolan-3-amine?
The InChIKey is GTFSBAVEZJQDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-5-10(6-4-2)12-11-7-8-15(13,14)9-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-heptan-4-yl-1,1-dioxothiolan-3-amine?
N-heptan-4-yl-1,1-dioxothiolan-3-amine has a molecular weight of 233.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43191007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).