amino-[1-(methylsulfanylmethyl)cyclopropyl]methanol

C6H13NOS — CID 163949428

IUPACamino-[1-(methylsulfanylmethyl)cyclopropyl]methanol
SMILESCSCC1(C(N)O)CC1
InChIInChI=1S/C6H13NOS/c1-9-4-6(2-3-6)5(7)8/h5,8H,2-4,7H2,1H3
InChIKeyRYAGSBDDRIVPQZ-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.41
Rot. Bonds3

About amino-[1-(methylsulfanylmethyl)cyclopropyl]methanol

amino-[1-(methylsulfanylmethyl)cyclopropyl]methanol (PubChem CID 163949428) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is amino-[1-(methylsulfanylmethyl)cyclopropyl]methanol.

Molecular Properties

Compound Nameamino-[1-(methylsulfanylmethyl)cyclopropyl]methanol
PubChem CID163949428
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Nameamino-[1-(methylsulfanylmethyl)cyclopropyl]methanol
SMILESCSCC1(C(N)O)CC1
InChIInChI=1S/C6H13NOS/c1-9-4-6(2-3-6)5(7)8/h5,8H,2-4,7H2,1H3
InChIKeyRYAGSBDDRIVPQZ-UHFFFAOYSA-N
XLogP0.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine
CID 106797380
amino-(1-fluorocyclopropyl)methanol
CID 167147774
1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol
CID 79138497
[1-(methylsulfanylmethyl)cyclobutyl]methanol
CID 139383517
(2R)-2-amino-1-[(2R)-2-amino-4-methylsulfanylbutanoyl]sulfonyl-4-methylsulfanylbutan-1-one
CID 22814190
1-(1-ethylcyclopropyl)prop-2-ene-1,2-diamine
CID 145401139
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol
CID 79138945
(E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol
CID 130506580
2-hydroxy-1-[3-methyl-3-(methylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 123299254
(2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol
CID 86651329
1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol
CID 130513360
[1-(aminomethyl)cyclopropyl]-(1-methylcyclobutyl)methanol
CID 165445368

Frequently Asked Questions

What is the IUPAC name of amino-[1-(methylsulfanylmethyl)cyclopropyl]methanol?
The IUPAC name of amino-[1-(methylsulfanylmethyl)cyclopropyl]methanol (CID 163949428) is amino-[1-(methylsulfanylmethyl)cyclopropyl]methanol.
What is the SMILES notation for amino-[1-(methylsulfanylmethyl)cyclopropyl]methanol?
The canonical SMILES for amino-[1-(methylsulfanylmethyl)cyclopropyl]methanol is CSCC1(C(N)O)CC1.
What is the InChIKey of amino-[1-(methylsulfanylmethyl)cyclopropyl]methanol?
The InChIKey is RYAGSBDDRIVPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-9-4-6(2-3-6)5(7)8/h5,8H,2-4,7H2,1H3.
What are the key properties of amino-[1-(methylsulfanylmethyl)cyclopropyl]methanol?
amino-[1-(methylsulfanylmethyl)cyclopropyl]methanol has a molecular weight of 147.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[1-(methylsulfanylmethyl)cyclopropyl]methanol is sourced from PubChem (CID 163949428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).