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

C12H23NOS — CID 79957673

IUPAC2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine
SMILESCC1SCCCC1NCCC1CCCO1
InChIInChI=1S/C12H23NOS/c1-10-12(5-3-9-15-10)13-7-6-11-4-2-8-14-11/h10-13H,2-9H2,1H3
InChIKeyKSAURZJSKGMBQJ-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.43
Rot. Bonds4

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

2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine (PubChem CID 79957673) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine
PubChem CID79957673
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine
SMILESCC1SCCCC1NCCC1CCCO1
InChIInChI=1S/C12H23NOS/c1-10-12(5-3-9-15-10)13-7-6-11-4-2-8-14-11/h10-13H,2-9H2,1H3
InChIKeyKSAURZJSKGMBQJ-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(oxan-2-ylmethyl)thian-3-amine
CID 79956591
N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81297392
2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 115708973
1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
CID 115708963
2-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65163066
N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
2-[(2-methylthian-3-yl)amino]ethanesulfonamide
CID 79957817
1-(3-methyl-1,4-dithian-2-yl)-3-(oxolan-2-yl)propan-1-one
CID 115385790
2,2-diethyl-N-[2-(oxolan-2-yl)ethyl]oxan-4-amine
CID 83032582
2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine
CID 79956996
N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
CID 79957454
2-methyl-N-(4-propan-2-yloxybutyl)thian-3-amine
CID 106007631

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine?
The IUPAC name of 2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine (CID 79957673) is 2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine?
The canonical SMILES for 2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine is CC1SCCCC1NCCC1CCCO1.
What is the InChIKey of 2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine?
The InChIKey is KSAURZJSKGMBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10-12(5-3-9-15-10)13-7-6-11-4-2-8-14-11/h10-13H,2-9H2,1H3.
What are the key properties of 2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine?
2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine has a molecular weight of 229.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine is sourced from PubChem (CID 79957673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).