3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine

C10H21NS2 — CID 107272066

IUPAC3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine
SMILESCCSCCCNCC1(SC)CC1
InChIInChI=1S/C10H21NS2/c1-3-13-8-4-7-11-9-10(12-2)5-6-10/h11H,3-9H2,1-2H3
InChIKeyMYLFVWQFZZNANZ-UHFFFAOYSA-N
MW219.42 g/mol
LogP2.61
Rot. Bonds8

About 3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine

3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine (PubChem CID 107272066) has the molecular formula C10H21NS2 and a molecular weight of 219.42 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine
PubChem CID107272066
Molecular FormulaC10H21NS2
Molecular Weight219.42 g/mol
Exact Mass219.11
IUPAC Name3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine
SMILESCCSCCCNCC1(SC)CC1
InChIInChI=1S/C10H21NS2/c1-3-13-8-4-7-11-9-10(12-2)5-6-10/h11H,3-9H2,1-2H3
InChIKeyMYLFVWQFZZNANZ-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine
CID 116503655
N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine
CID 104668675
1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine
CID 104668682
3-(ethylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 114142573
2-ethyl-2-[[(1-methylsulfanylcyclopropyl)methylamino]methyl]butanoic acid
CID 122128318
tert-butyl N-[3-[(1-methylsulfanylcyclobutyl)methylamino]propyl]carbamate
CID 107272034
2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine
CID 114116392
3-(3-ethylsulfanylpropylamino)propanamide
CID 104586816
N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529290
2-(chloromethyl)-2-ethyl-N-(3-ethylsulfanylpropyl)butan-1-amine
CID 106252654
3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine
CID 116503669
N-[(1-methylsulfanylcyclobutyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106090686

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine (CID 107272066) is 3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine is CCSCCCNCC1(SC)CC1.
What is the InChIKey of 3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine?
The InChIKey is MYLFVWQFZZNANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2/c1-3-13-8-4-7-11-9-10(12-2)5-6-10/h11H,3-9H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine?
3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine has a molecular weight of 219.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 107272066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).