3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine

C10H22N2S — CID 43268613

IUPAC3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine
SMILESCCCN(CC)C1(CN)CCSC1
InChIInChI=1S/C10H22N2S/c1-3-6-12(4-2)10(8-11)5-7-13-9-10/h3-9,11H2,1-2H3
InChIKeyFEVUAYJNMHKGLP-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.55
Rot. Bonds5

About 3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine

3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine (PubChem CID 43268613) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine
PubChem CID43268613
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine
SMILESCCCN(CC)C1(CN)CCSC1
InChIInChI=1S/C10H22N2S/c1-3-6-12(4-2)10(8-11)5-7-13-9-10/h3-9,11H2,1-2H3
InChIKeyFEVUAYJNMHKGLP-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.55
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-ethyl-N-propylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine (CID 43268613) is 3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine is CCCN(CC)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine?
The InChIKey is FEVUAYJNMHKGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-6-12(4-2)10(8-11)5-7-13-9-10/h3-9,11H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine?
3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine has a molecular weight of 202.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine is sourced from PubChem (CID 43268613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).