N-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine

C11H21NOS — CID 43183015

IUPACN-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine
SMILESC(CNC1CCSC1)COCC1CC1
InChIInChI=1S/C11H21NOS/c1(6-13-8-10-2-3-10)5-12-11-4-7-14-9-11/h10-12H,1-9H2
InChIKeyQZJOQPAFADLOGU-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.90
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine

N-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine (PubChem CID 43183015) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine
PubChem CID43183015
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine
SMILESC(CNC1CCSC1)COCC1CC1
InChIInChI=1S/C11H21NOS/c1(6-13-8-10-2-3-10)5-12-11-4-7-14-9-11/h10-12H,1-9H2
InChIKeyQZJOQPAFADLOGU-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine (CID 43183015) is N-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine is C(CNC1CCSC1)COCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine?
The InChIKey is QZJOQPAFADLOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1(6-13-8-10-2-3-10)5-12-11-4-7-14-9-11/h10-12H,1-9H2.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine?
N-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine has a molecular weight of 215.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]thiolan-3-amine is sourced from PubChem (CID 43183015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).