N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine

C14H28N2O2S — CID 56806848

IUPACN-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine
SMILESCCCCCCNC1CS(=O)(=O)CC1N1CCCC1
InChIInChI=1S/C14H28N2O2S/c1-2-3-4-5-8-15-13-11-19(17,18)12-14(13)16-9-6-7-10-16/h13-15H,2-12H2,1H3
InChIKeyGMPICSOTTOPFKX-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.42
Rot. Bonds7

About N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine

N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine (PubChem CID 56806848) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine.

Molecular Properties

Compound NameN-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine
PubChem CID56806848
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine
SMILESCCCCCCNC1CS(=O)(=O)CC1N1CCCC1
InChIInChI=1S/C14H28N2O2S/c1-2-3-4-5-8-15-13-11-19(17,18)12-14(13)16-9-6-7-10-16/h13-15H,2-12H2,1H3
InChIKeyGMPICSOTTOPFKX-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine?
The IUPAC name of N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine (CID 56806848) is N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine.
What is the SMILES notation for N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine?
The canonical SMILES for N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine is CCCCCCNC1CS(=O)(=O)CC1N1CCCC1.
What is the InChIKey of N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine?
The InChIKey is GMPICSOTTOPFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-2-3-4-5-8-15-13-11-19(17,18)12-14(13)16-9-6-7-10-16/h13-15H,2-12H2,1H3.
What are the key properties of N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine?
N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine has a molecular weight of 288.46 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine is sourced from PubChem (CID 56806848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).