2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol

C12H25NOS — CID 79950212

IUPAC2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CSC(C)C1
InChIInChI=1S/C12H25NOS/c1-9(2)6-12(4,14)8-13-11-5-10(3)15-7-11/h9-11,13-14H,5-8H2,1-4H3
InChIKeyORILZYXASOKARX-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.27
Rot. Bonds5

About 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol

2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol (PubChem CID 79950212) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol
PubChem CID79950212
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CSC(C)C1
InChIInChI=1S/C12H25NOS/c1-9(2)6-12(4,14)8-13-11-5-10(3)15-7-11/h9-11,13-14H,5-8H2,1-4H3
InChIKeyORILZYXASOKARX-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4,4,4-Trifluorobutan-2-ylamino)methyl]thiolan-3-ol
CID 112330492
(1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 10988172
2-Methyl-1-(2-methyl-2-propan-2-yl-1,3-thiazolidin-4-yl)propan-1-ol
CID 130434120
3-[(Propan-2-ylamino)methyl]thian-3-ol
CID 177955386
(2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 10901592
4-Methyl-2-[(thiolan-3-yl)amino]pentan-1-ol
CID 61242208
1-Cyclopropyl-2-(thiolan-3-ylamino)ethanol
CID 63294658
1-[(Thian-4-ylamino)methyl]cyclopentan-1-ol
CID 63932057
2-Methyl-1-(thian-4-ylamino)butan-2-ol
CID 63933904
2-Methyl-1-[(thiolan-3-yl)amino]propan-2-ol
CID 65103631
1-[(Thiolan-3-ylamino)methyl]cyclopentan-1-ol
CID 65105525
1-[(3-Methylsulfanylpropylamino)methyl]cyclopentan-1-ol
CID 65105842

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol (CID 79950212) is 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol is CC(C)CC(C)(O)CNC1CSC(C)C1.
What is the InChIKey of 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol?
The InChIKey is ORILZYXASOKARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9(2)6-12(4,14)8-13-11-5-10(3)15-7-11/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol?
2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol has a molecular weight of 231.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(5-methylthiolan-3-yl)amino]pentan-2-ol is sourced from PubChem (CID 79950212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).