2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine

C12H26N2S — CID 62263437

IUPAC2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)CN1CCSCC1
InChIInChI=1S/C12H26N2S/c1-11(2)13-9-12(3,4)10-14-5-7-15-8-6-14/h11,13H,5-10H2,1-4H3
InChIKeyWXWQIQKVQCVAMS-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.06
Rot. Bonds5

About 2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine

2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62263437) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine
PubChem CID62263437
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)CN1CCSCC1
InChIInChI=1S/C12H26N2S/c1-11(2)13-9-12(3,4)10-14-5-7-15-8-6-14/h11,13H,5-10H2,1-4H3
InChIKeyWXWQIQKVQCVAMS-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62263335
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 63159907
N-propan-2-yl-4-thiomorpholin-4-ylbutan-1-amine
CID 60851852
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358633
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 94382986
3,3-dimethyl-4-(1,4-thiazepan-4-yl)butan-2-ol
CID 66453476
[4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol
CID 81213628
2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine
CID 62262511
N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine
CID 62263810
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 102728264
2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine
CID 62968299
2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62258815

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine (CID 62263437) is 2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine is CC(C)NCC(C)(C)CN1CCSCC1.
What is the InChIKey of 2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is WXWQIQKVQCVAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-11(2)13-9-12(3,4)10-14-5-7-15-8-6-14/h11,13H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine?
2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62263437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).