(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol

C14H25NO2S — CID 93161359

IUPAC(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCCCN(Cc1cccs1)C[C@@H](O)COC(C)C
InChIInChI=1S/C14H25NO2S/c1-4-7-15(10-14-6-5-8-18-14)9-13(16)11-17-12(2)3/h5-6,8,12-13,16H,4,7,9-11H2,1-3H3/t13-/m1/s1
InChIKeyRVOSAEDZFQBCDN-CYBMUJFWSA-N
MW271.43 g/mol
LogP2.75
Rot. Bonds9

About (2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol

(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol (PubChem CID 93161359) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is (2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
PubChem CID93161359
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCCCN(Cc1cccs1)C[C@@H](O)COC(C)C
InChIInChI=1S/C14H25NO2S/c1-4-7-15(10-14-6-5-8-18-14)9-13(16)11-17-12(2)3/h5-6,8,12-13,16H,4,7,9-11H2,1-3H3/t13-/m1/s1
InChIKeyRVOSAEDZFQBCDN-CYBMUJFWSA-N
XLogP2.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161338
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991861
1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
CID 60634039
(2S)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161343
3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
CID 46995993
1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46006985
1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 112561384
1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 63932948
(2S)-1-[(2,3-dimethoxyphenyl)methyl-propylamino]-3-propan-2-yloxypropan-2-ol
CID 93161613
ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
CID 62027701
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95358395

Frequently Asked Questions

What is the IUPAC name of (2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol (CID 93161359) is (2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol is CCCN(Cc1cccs1)C[C@@H](O)COC(C)C.
What is the InChIKey of (2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The InChIKey is RVOSAEDZFQBCDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-4-7-15(10-14-6-5-8-18-14)9-13(16)11-17-12(2)3/h5-6,8,12-13,16H,4,7,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol?
(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol has a molecular weight of 271.43 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 93161359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).