N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine

C11H21NOS — CID 83196715

IUPACN-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine
SMILESCNC1CSCC1CCC1CCCO1
InChIInChI=1S/C11H21NOS/c1-12-11-8-14-7-9(11)4-5-10-3-2-6-13-10/h9-12H,2-8H2,1H3
InChIKeyZRMGRFSFMFCMTM-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.90
Rot. Bonds4

About N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine

N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine (PubChem CID 83196715) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine
PubChem CID83196715
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine
SMILESCNC1CSCC1CCC1CCCO1
InChIInChI=1S/C11H21NOS/c1-12-11-8-14-7-9(11)4-5-10-3-2-6-13-10/h9-12H,2-8H2,1H3
InChIKeyZRMGRFSFMFCMTM-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methanamine
CID 81034767
4-butyl-N-methylthiolan-3-amine
CID 83195974
2-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65163066
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane
CID 65165540
N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine
CID 155891671
N-[[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 81033878
3-N,4-N-dimethylthiolane-3,4-diamine
CID 170597247
4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine
CID 83196605
N-methyl-6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 65162668
N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025790
N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine
CID 106727327

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine?
The IUPAC name of N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine (CID 83196715) is N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine?
The canonical SMILES for N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine is CNC1CSCC1CCC1CCCO1.
What is the InChIKey of N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine?
The InChIKey is ZRMGRFSFMFCMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-12-11-8-14-7-9(11)4-5-10-3-2-6-13-10/h9-12H,2-8H2,1H3.
What are the key properties of N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine?
N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine has a molecular weight of 215.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 83196715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).