N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine

C13H26N2S — CID 43207788

IUPACN-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine
SMILESCC(C)C(CNC1CCSC1)N1CCCC1
InChIInChI=1S/C13H26N2S/c1-11(2)13(15-6-3-4-7-15)9-14-12-5-8-16-10-12/h11-14H,3-10H2,1-2H3
InChIKeyLLPCZQUXFXNPDO-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.20
Rot. Bonds5

About N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine

N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine (PubChem CID 43207788) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine
PubChem CID43207788
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine
SMILESCC(C)C(CNC1CCSC1)N1CCCC1
InChIInChI=1S/C13H26N2S/c1-11(2)13(15-6-3-4-7-15)9-14-12-5-8-16-10-12/h11-14H,3-10H2,1-2H3
InChIKeyLLPCZQUXFXNPDO-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine?
The IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine (CID 43207788) is N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine.
What is the SMILES notation for N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine?
The canonical SMILES for N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine is CC(C)C(CNC1CCSC1)N1CCCC1.
What is the InChIKey of N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine?
The InChIKey is LLPCZQUXFXNPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-11(2)13(15-6-3-4-7-15)9-14-12-5-8-16-10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine?
N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine is sourced from PubChem (CID 43207788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).