1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine

C10H20N2OS — CID 123720450

IUPAC1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1(N)C(NSC1CC1)OC
InChIInChI=1S/C10H20N2OS/c1-3-7-6-10(7,11)9(13-2)12-14-8-4-5-8/h7-9,12H,3-6,11H2,1-2H3
InChIKeyXZKGEYBPAYUESI-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.49
Rot. Bonds6

About 1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine

1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine (PubChem CID 123720450) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine
PubChem CID123720450
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1(N)C(NSC1CC1)OC
InChIInChI=1S/C10H20N2OS/c1-3-7-6-10(7,11)9(13-2)12-14-8-4-5-8/h7-9,12H,3-6,11H2,1-2H3
InChIKeyXZKGEYBPAYUESI-UHFFFAOYSA-N
XLogP1.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine?
The IUPAC name of 1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine (CID 123720450) is 1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine.
What is the SMILES notation for 1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine?
The canonical SMILES for 1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine is CCC1CC1(N)C(NSC1CC1)OC.
What is the InChIKey of 1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine?
The InChIKey is XZKGEYBPAYUESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-7-6-10(7,11)9(13-2)12-14-8-4-5-8/h7-9,12H,3-6,11H2,1-2H3.
What are the key properties of 1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine?
1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine has a molecular weight of 216.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclopropylsulfanylamino)-methoxymethyl]-2-ethylcyclopropan-1-amine is sourced from PubChem (CID 123720450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).