N-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine

C10H22N2S — CID 62419635

IUPACN-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCNCC(C)CN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-3-11-8-10(2)9-12-4-6-13-7-5-12/h10-11H,3-9H2,1-2H3
InChIKeyQHKJRVVHKYVEPV-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.28
Rot. Bonds5

About N-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine

N-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62419635) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine
PubChem CID62419635
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCNCC(C)CN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-3-11-8-10(2)9-12-4-6-13-7-5-12/h10-11H,3-9H2,1-2H3
InChIKeyQHKJRVVHKYVEPV-UHFFFAOYSA-N
XLogP1.28
TPSA15.27 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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethylthiomorpholine
CID 19425061
N'-(2-propan-2-ylsulfanylethyl)propane-1,3-diamine
CID 11367311
2-[(2,6-Dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366363
3,3,3-Trifluoro-2-[(2-methylthiomorpholin-4-yl)methyl]propan-1-amine
CID 103366463
2-[(2-Ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366467
2-[(2,2-Dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366468
[2,2-Difluoro-3-(thiomorpholin-4-yl)propyl](ethyl)amine
CID 165742631
N-(3-Aminopropyl)-thiomorpholine
CID 15100271
N,N-diethyl-2-(piperidin-4-ylmethylsulfanyl)ethanamine
CID 20295338
N-methyl-1-thiomorpholin-2-ylmethanamine
CID 23090239
Thiomorpholin-2-ylmethanamine
CID 23090339
N,N-dimethyl-1-thiomorpholin-2-ylmethanamine
CID 23090448

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine (CID 62419635) is N-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine is CCNCC(C)CN1CCSCC1.
What is the InChIKey of N-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is QHKJRVVHKYVEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-11-8-10(2)9-12-4-6-13-7-5-12/h10-11H,3-9H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine?
N-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62419635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).