(2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine

C15H29NOS — CID 95129576

IUPAC(2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine
SMILESCC(C)CCC[C@H]1CN(C2CCSCC2)CCO1
InChIInChI=1S/C15H29NOS/c1-13(2)4-3-5-15-12-16(8-9-17-15)14-6-10-18-11-7-14/h13-15H,3-12H2,1-2H3/t15-/m0/s1
InChIKeyAPRZYERFFWMADF-HNNXBMFYSA-N
MW271.47 g/mol
LogP3.41
Rot. Bonds5

About (2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine

(2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine (PubChem CID 95129576) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is (2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine
PubChem CID95129576
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name(2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine
SMILESCC(C)CCC[C@H]1CN(C2CCSCC2)CCO1
InChIInChI=1S/C15H29NOS/c1-13(2)4-3-5-15-12-16(8-9-17-15)14-6-10-18-11-7-14/h13-15H,3-12H2,1-2H3/t15-/m0/s1
InChIKeyAPRZYERFFWMADF-HNNXBMFYSA-N
XLogP3.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
(2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine
CID 29001663
[4-(4-propan-2-ylcyclohexyl)morpholin-2-yl]methanamine
CID 114397877
2-(5-methylhexyl)oxetane
CID 173452744
2-methyl-1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]propan-1-one
CID 95225161
4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine
CID 166776882
2-(4-cyclohexylmorpholin-2-yl)ethanamine
CID 82284305
4-methyl-2-(3-methylbutyl)morpholine
CID 59613546
(4-cyclopentylmorpholin-2-yl)methanol
CID 45098591
2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine
CID 176694052
1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one
CID 95123093
1-[(2R)-2-(4-methylpentyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 25456655

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine?
The IUPAC name of (2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine (CID 95129576) is (2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine.
What is the SMILES notation for (2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine?
The canonical SMILES for (2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine is CC(C)CCC[C@H]1CN(C2CCSCC2)CCO1.
What is the InChIKey of (2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine?
The InChIKey is APRZYERFFWMADF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-13(2)4-3-5-15-12-16(8-9-17-15)14-6-10-18-11-7-14/h13-15H,3-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine?
(2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine has a molecular weight of 271.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpentyl)-4-(thian-4-yl)morpholine is sourced from PubChem (CID 95129576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).