2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol

C14H29NO2S — CID 107764599

IUPAC2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)SC1CCOC1C
InChIInChI=1S/C14H29NO2S/c1-5-7-15-14(4,10-16)9-11(2)18-13-6-8-17-12(13)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeyIHCMWFSCGKOUNR-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.43
Rot. Bonds8

About 2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol

2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol (PubChem CID 107764599) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol
PubChem CID107764599
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)SC1CCOC1C
InChIInChI=1S/C14H29NO2S/c1-5-7-15-14(4,10-16)9-11(2)18-13-6-8-17-12(13)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeyIHCMWFSCGKOUNR-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol (CID 107764599) is 2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)SC1CCOC1C.
What is the InChIKey of 2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol?
The InChIKey is IHCMWFSCGKOUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-7-15-14(4,10-16)9-11(2)18-13-6-8-17-12(13)3/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol?
2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol has a molecular weight of 275.46 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 107764599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).