(2S)-2,4-di(propan-2-yl)thiomorpholine

C10H21NS — CID 170688101

IUPAC(2S)-2,4-di(propan-2-yl)thiomorpholine
SMILESCC(C)[C@H]1CN(C(C)C)CCS1
InChIInChI=1S/C10H21NS/c1-8(2)10-7-11(9(3)4)5-6-12-10/h8-10H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyWEQQXAWVQVRJQQ-SNVBAGLBSA-N
MW187.35 g/mol
LogP2.47
Rot. Bonds2

About (2S)-2,4-di(propan-2-yl)thiomorpholine

(2S)-2,4-di(propan-2-yl)thiomorpholine (PubChem CID 170688101) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (2S)-2,4-di(propan-2-yl)thiomorpholine.

Molecular Properties

Compound Name(2S)-2,4-di(propan-2-yl)thiomorpholine
PubChem CID170688101
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(2S)-2,4-di(propan-2-yl)thiomorpholine
SMILESCC(C)[C@H]1CN(C(C)C)CCS1
InChIInChI=1S/C10H21NS/c1-8(2)10-7-11(9(3)4)5-6-12-10/h8-10H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyWEQQXAWVQVRJQQ-SNVBAGLBSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-propan-2-ylthiomorpholine
CID 127282712
2-propan-2-ylthiomorpholine-4-sulfonyl chloride
CID 165491191
(2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide
CID 140959042
4-[(2S)-2-propan-2-ylthiomorpholin-4-yl]butanoic acid
CID 124607987
2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol
CID 111490067
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
1,2,4-tri(propan-2-yl)piperazine
CID 58977477
(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine
CID 134168187
morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone
CID 119817036
(3S)-3-methyl-1,4-di(propan-2-yl)piperidine
CID 139299028
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
3,4-dimethoxy-1-propan-2-ylpiperidine
CID 126655674

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-di(propan-2-yl)thiomorpholine?
The IUPAC name of (2S)-2,4-di(propan-2-yl)thiomorpholine (CID 170688101) is (2S)-2,4-di(propan-2-yl)thiomorpholine.
What is the SMILES notation for (2S)-2,4-di(propan-2-yl)thiomorpholine?
The canonical SMILES for (2S)-2,4-di(propan-2-yl)thiomorpholine is CC(C)[C@H]1CN(C(C)C)CCS1.
What is the InChIKey of (2S)-2,4-di(propan-2-yl)thiomorpholine?
The InChIKey is WEQQXAWVQVRJQQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)10-7-11(9(3)4)5-6-12-10/h8-10H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of (2S)-2,4-di(propan-2-yl)thiomorpholine?
(2S)-2,4-di(propan-2-yl)thiomorpholine has a molecular weight of 187.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-di(propan-2-yl)thiomorpholine is sourced from PubChem (CID 170688101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).