(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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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).