1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol

C15H25NO2S2 — CID 111490299

IUPAC1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCSC1CCCC1N(C)CC(O)COCc1cccs1
InChIInChI=1S/C15H25NO2S2/c1-16(14-6-3-7-15(14)19-2)9-12(17)10-18-11-13-5-4-8-20-13/h4-5,8,12,14-15,17H,3,6-7,9-11H2,1-2H3
InChIKeyNYNBOJHWXQBDCB-UHFFFAOYSA-N
MW315.50 g/mol
LogP2.84
Rot. Bonds8

About 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 111490299) has the molecular formula C15H25NO2S2 and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID111490299
Molecular FormulaC15H25NO2S2
Molecular Weight315.50 g/mol
Exact Mass315.13
IUPAC Name1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCSC1CCCC1N(C)CC(O)COCc1cccs1
InChIInChI=1S/C15H25NO2S2/c1-16(14-6-3-7-15(14)19-2)9-12(17)10-18-11-13-5-4-8-20-13/h4-5,8,12,14-15,17H,3,6-7,9-11H2,1-2H3
InChIKeyNYNBOJHWXQBDCB-UHFFFAOYSA-N
XLogP2.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-cyclopropylethyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110884814
1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol
CID 111490306
1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75420766
1-[(4-bromophenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86976023
(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 26007241
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
1-[(3-methoxyphenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 17471420
1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 111427544
1-(4-methoxypiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110882492
4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 106133162
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79358228
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 111490299) is 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol is CSC1CCCC1N(C)CC(O)COCc1cccs1.
What is the InChIKey of 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is NYNBOJHWXQBDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S2/c1-16(14-6-3-7-15(14)19-2)9-12(17)10-18-11-13-5-4-8-20-13/h4-5,8,12,14-15,17H,3,6-7,9-11H2,1-2H3.
What are the key properties of 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 315.50 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 111490299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).