3-(aminomethyl)-N,N-dibutylthiolan-3-amine

C13H28N2S — CID 43125890

IUPAC3-(aminomethyl)-N,N-dibutylthiolan-3-amine
SMILESCCCCN(CCCC)C1(CN)CCSC1
InChIInChI=1S/C13H28N2S/c1-3-5-8-15(9-6-4-2)13(11-14)7-10-16-12-13/h3-12,14H2,1-2H3
InChIKeyLMABLIRFUQXGAX-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.72
Rot. Bonds8

About 3-(aminomethyl)-N,N-dibutylthiolan-3-amine

3-(aminomethyl)-N,N-dibutylthiolan-3-amine (PubChem CID 43125890) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dibutylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dibutylthiolan-3-amine
PubChem CID43125890
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name3-(aminomethyl)-N,N-dibutylthiolan-3-amine
SMILESCCCCN(CCCC)C1(CN)CCSC1
InChIInChI=1S/C13H28N2S/c1-3-5-8-15(9-6-4-2)13(11-14)7-10-16-12-13/h3-12,14H2,1-2H3
InChIKeyLMABLIRFUQXGAX-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 114995668
3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 114996951
3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 2779827
4-(ethylsulfanylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 53776738
4-(aminomethyl)-N,N-dimethylthian-4-amine
CID 61563056
3-(Aminomethyl)-3-(N,N-dimethylamino)tetramethylene Sulfoxide
CID 67060899
N,N-dimethyl-3-[(propan-2-ylamino)methyl]thiolan-3-amine
CID 115906079
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
CID 130440236
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine;ethane
CID 145087557
[(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
CID 6932626
(3R)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 6932627
[(3S)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
CID 6932628

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dibutylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N,N-dibutylthiolan-3-amine (CID 43125890) is 3-(aminomethyl)-N,N-dibutylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-dibutylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-dibutylthiolan-3-amine is CCCCN(CCCC)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N,N-dibutylthiolan-3-amine?
The InChIKey is LMABLIRFUQXGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-3-5-8-15(9-6-4-2)13(11-14)7-10-16-12-13/h3-12,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,N-dibutylthiolan-3-amine?
3-(aminomethyl)-N,N-dibutylthiolan-3-amine has a molecular weight of 244.45 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dibutylthiolan-3-amine is sourced from PubChem (CID 43125890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).