N,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine

C7H15NOS — CID 168906707

IUPACN,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine
SMILESCN(C)CC1(COS)CC1
InChIInChI=1S/C7H15NOS/c1-8(2)5-7(3-4-7)6-9-10/h10H,3-6H2,1-2H3
InChIKeyLHXVIYNZBLZZIU-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.19
Rot. Bonds4

About N,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine

N,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine (PubChem CID 168906707) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine
PubChem CID168906707
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine
SMILESCN(C)CC1(COS)CC1
InChIInChI=1S/C7H15NOS/c1-8(2)5-7(3-4-7)6-9-10/h10H,3-6H2,1-2H3
InChIKeyLHXVIYNZBLZZIU-UHFFFAOYSA-N
XLogP1.19
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1-((Dimethylamino)methyl)cyclopropyl)methanol
CID 82111168
[1-[(Dimethylamino)methyl]cyclopropyl]methyl hypofluorite
CID 156898390
[1-[[Ethyl(propyl)amino]methyl]cyclopropyl]methyl hypofluorite
CID 170772014
1-[1-(methoxymethyl)cyclopropyl]-N,N-dimethylmethanamine
CID 156898332
Potassium [1-[(dimethylamino)methyl]cyclopropyl]methanolate
CID 164878307
ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 164878448
N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 164878449
ethane;1-[1-(methoxymethyl)cyclopropyl]-N,N-dimethylmethanamine
CID 164878954
O-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]hydroxylamine
CID 166533640
1-[1-(ethoxymethyl)cyclopropyl]-N,N-dimethylmethanamine
CID 166806953
N-[[1-(methoxymethyl)cyclopropyl]methyl]-N-methylpropan-1-amine
CID 170082206
[1-[[Methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite
CID 170083103

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine (CID 168906707) is N,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine is CN(C)CC1(COS)CC1.
What is the InChIKey of N,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine?
The InChIKey is LHXVIYNZBLZZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-8(2)5-7(3-4-7)6-9-10/h10H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine?
N,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine has a molecular weight of 161.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(sulfanyloxymethyl)cyclopropyl]methanamine is sourced from PubChem (CID 168906707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).