[2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol

C13H26N2OS — CID 114178599

IUPAC[2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol
SMILESCC1SCCC1(CN)NC1CCCCC1CO
InChIInChI=1S/C13H26N2OS/c1-10-13(9-14,6-7-17-10)15-12-5-3-2-4-11(12)8-16/h10-12,15-16H,2-9,14H2,1H3
InChIKeyULPBMDXZJBGNRU-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.35
Rot. Bonds4

About [2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol

[2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol (PubChem CID 114178599) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is [2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol
PubChem CID114178599
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name[2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol
SMILESCC1SCCC1(CN)NC1CCCCC1CO
InChIInChI=1S/C13H26N2OS/c1-10-13(9-14,6-7-17-10)15-12-5-3-2-4-11(12)8-16/h10-12,15-16H,2-9,14H2,1H3
InChIKeyULPBMDXZJBGNRU-UHFFFAOYSA-N
XLogP1.35
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[1-(aminomethyl)-2-ethylcyclopentyl]amino]cyclohexyl]methanol
CID 114178587
[2-[[1-(aminomethyl)-2,5-dimethylcyclohexyl]amino]cyclohexyl]methanol
CID 106360359
[2-[[1-(aminomethyl)-4,4-dimethylcyclohexyl]amino]cyclohexyl]methanol
CID 106360313
[2-[[1-(aminomethyl)-3,5-dimethylcyclohexyl]amino]cyclopentyl]methanol
CID 106359954
[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol
CID 106359743
[2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol
CID 106360446
[2-[[1-(aminomethyl)-3-cyclopropylcyclohexyl]amino]cyclohexyl]methanol
CID 106360376
[2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol
CID 106360413
[2-[[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]amino]cyclopentyl]methanol
CID 106359944
[2-[[2-(aminomethyl)cyclopentyl]amino]cyclohexyl]methanol
CID 106359831
3-(aminomethyl)-2-methyl-N-prop-2-ynylthian-3-amine
CID 79951330
[(1R,2R)-2-aminocyclohexyl]methanol;[(1R,2R)-2-(methylamino)cyclohexyl]methanol
CID 169429799

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol (CID 114178599) is [2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol is CC1SCCC1(CN)NC1CCCCC1CO.
What is the InChIKey of [2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol?
The InChIKey is ULPBMDXZJBGNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-10-13(9-14,6-7-17-10)15-12-5-3-2-4-11(12)8-16/h10-12,15-16H,2-9,14H2,1H3.
What are the key properties of [2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol?
[2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol has a molecular weight of 258.43 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 114178599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).