2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol

C10H19NS — CID 103073190

IUPAC2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)CC1CC1C
InChIInChI=1S/C10H19NS/c1-8(7-12)5-11(3)6-10-4-9(10)2/h9-10,12H,1,4-7H2,2-3H3
InChIKeyOKDYFKMKWKLZHH-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.06
Rot. Bonds5

About 2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol

2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol (PubChem CID 103073190) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol
PubChem CID103073190
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)CC1CC1C
InChIInChI=1S/C10H19NS/c1-8(7-12)5-11(3)6-10-4-9(10)2/h9-10,12H,1,4-7H2,2-3H3
InChIKeyOKDYFKMKWKLZHH-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol (CID 103073190) is 2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol is C=C(CS)CN(C)CC1CC1C.
What is the InChIKey of 2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol?
The InChIKey is OKDYFKMKWKLZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-8(7-12)5-11(3)6-10-4-9(10)2/h9-10,12H,1,4-7H2,2-3H3.
What are the key properties of 2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol?
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol has a molecular weight of 185.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).