(3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol

C14H29NOS — CID 118890204

IUPAC(3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol
SMILESCCC[C@@H](CCO)CCCCN1CCSCC1
InChIInChI=1S/C14H29NOS/c1-2-5-14(7-11-16)6-3-4-8-15-9-12-17-13-10-15/h14,16H,2-13H2,1H3/t14-/m1/s1
InChIKeyHDWKPYWGZPHLKI-CQSZACIVSA-N
MW259.46 g/mol
LogP3.00
Rot. Bonds9

About (3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol

(3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol (PubChem CID 118890204) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is (3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol.

Molecular Properties

Compound Name(3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol
PubChem CID118890204
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name(3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol
SMILESCCC[C@@H](CCO)CCCCN1CCSCC1
InChIInChI=1S/C14H29NOS/c1-2-5-14(7-11-16)6-3-4-8-15-9-12-17-13-10-15/h14,16H,2-13H2,1H3/t14-/m1/s1
InChIKeyHDWKPYWGZPHLKI-CQSZACIVSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-7-morpholin-4-yl-3-propylheptan-1-ol
CID 118890062
3-propyloctan-1-ol
CID 22492569
4-[(6R)-6-methoxydecyl]thiomorpholine
CID 118890209
ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol
CID 144711905
3-propylheptan-1-ol
CID 22492543
4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine
CID 118887662
4-(3-methylhexyl)thiomorpholine
CID 123685025
(3S)-3-(2,2-dimethylpropyl)-8-(4-ethylpiperazin-1-yl)octan-1-ol
CID 118887619
ethane;3-propylhexan-1-ol
CID 142096808
3-pentylundecan-1-ol
CID 118576679
3-octyltridecan-1-ol
CID 13109029
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol?
The IUPAC name of (3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol (CID 118890204) is (3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol.
What is the SMILES notation for (3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol?
The canonical SMILES for (3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol is CCC[C@@H](CCO)CCCCN1CCSCC1.
What is the InChIKey of (3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol?
The InChIKey is HDWKPYWGZPHLKI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H29NOS/c1-2-5-14(7-11-16)6-3-4-8-15-9-12-17-13-10-15/h14,16H,2-13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol?
(3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol has a molecular weight of 259.46 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol is sourced from PubChem (CID 118890204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).