N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine

C11H21NOS — CID 107166780

IUPACN-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine
SMILESCOC1(CNCC2CCSC2)CCC1
InChIInChI=1S/C11H21NOS/c1-13-11(4-2-5-11)9-12-7-10-3-6-14-8-10/h10,12H,2-9H2,1H3
InChIKeyVXJGCYQZYRNHDK-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.90
Rot. Bonds5

About N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine

N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine (PubChem CID 107166780) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine
PubChem CID107166780
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine
SMILESCOC1(CNCC2CCSC2)CCC1
InChIInChI=1S/C11H21NOS/c1-13-11(4-2-5-11)9-12-7-10-3-6-14-8-10/h10,12H,2-9H2,1H3
InChIKeyVXJGCYQZYRNHDK-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine
CID 107132507
1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 107132476
N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine
CID 103991529
1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 107132168
[1-[(thiolan-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 107132321
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
1-(1-methoxycyclobutyl)-3-(thian-4-yl)propan-2-one
CID 103556880
methyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107131384
methyl 2,2-dimethyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107167949
methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107295831
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine (CID 107166780) is N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine is COC1(CNCC2CCSC2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine?
The InChIKey is VXJGCYQZYRNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-13-11(4-2-5-11)9-12-7-10-3-6-14-8-10/h10,12H,2-9H2,1H3.
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine?
N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine has a molecular weight of 215.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 107166780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).