3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol

C15H30N2OS — CID 106309489

IUPAC3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNC1CCCCC1C1CCCN1
InChIInChI=1S/C15H30N2OS/c18-10-4-11-19-12-9-17-14-6-2-1-5-13(14)15-7-3-8-16-15/h13-18H,1-12H2
InChIKeyUNOGVYNWGOSKCH-UHFFFAOYSA-N
MW286.48 g/mol
LogP2.00
Rot. Bonds8

About 3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol

3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol (PubChem CID 106309489) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is 3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
PubChem CID106309489
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC Name3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNC1CCCCC1C1CCCN1
InChIInChI=1S/C15H30N2OS/c18-10-4-11-19-12-9-17-14-6-2-1-5-13(14)15-7-3-8-16-15/h13-18H,1-12H2
InChIKeyUNOGVYNWGOSKCH-UHFFFAOYSA-N
XLogP2.00
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-piperidin-2-ylcyclopentyl)amino]propan-1-ol
CID 79544914
3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
CID 106309376
N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79549363
2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106427092
trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclohexan-1-ol
CID 106310392
2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 106426945
5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 106122125
trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol
CID 106310200
N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine
CID 79543435
3-[2-(piperidin-3-ylamino)ethylsulfanyl]propan-1-ol
CID 106309561
N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine
CID 79537332
N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79546596

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol (CID 106309489) is 3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol is OCCCSCCNC1CCCCC1C1CCCN1.
What is the InChIKey of 3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol?
The InChIKey is UNOGVYNWGOSKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c18-10-4-11-19-12-9-17-14-6-2-1-5-13(14)15-7-3-8-16-15/h13-18H,1-12H2.
What are the key properties of 3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol?
3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol has a molecular weight of 286.48 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106309489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).