N-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine

C10H18FNS — CID 130626424

IUPACN-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine
SMILESCC1SCCC1NCC1(F)CCC1
InChIInChI=1S/C10H18FNS/c1-8-9(3-6-13-8)12-7-10(11)4-2-5-10/h8-9,12H,2-7H2,1H3
InChIKeySHSCMTZHEGMVPN-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.36
Rot. Bonds3

About N-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine

N-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine (PubChem CID 130626424) has the molecular formula C10H18FNS and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine
PubChem CID130626424
Molecular FormulaC10H18FNS
Molecular Weight203.33 g/mol
Exact Mass203.11
IUPAC NameN-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine
SMILESCC1SCCC1NCC1(F)CCC1
InChIInChI=1S/C10H18FNS/c1-8-9(3-6-13-8)12-7-10(11)4-2-5-10/h8-9,12H,2-7H2,1H3
InChIKeySHSCMTZHEGMVPN-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
3,3,3-trifluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 80722297
2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723595
3-fluoro-N-(thiolan-2-ylmethyl)propan-1-amine
CID 81106470
3-fluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 81106836
3-(3-Fluoro-3-methylbutyl)sulfanylpyrrolidine
CID 84663642
2-methyl-N-(4,4,4-trifluorobutyl)thiolan-3-amine
CID 102672387
2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine
CID 102672630
1,1-difluoro-N-(thiolan-2-ylmethyl)propan-2-amine
CID 102869792
1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine
CID 102869805
N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine
CID 104925143
1,1-difluoro-N-[(1-methylsulfanylcyclobutyl)methyl]propan-2-amine
CID 105813502

Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine?
The IUPAC name of N-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine (CID 130626424) is N-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine.
What is the SMILES notation for N-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine?
The canonical SMILES for N-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine is CC1SCCC1NCC1(F)CCC1.
What is the InChIKey of N-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine?
The InChIKey is SHSCMTZHEGMVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNS/c1-8-9(3-6-13-8)12-7-10(11)4-2-5-10/h8-9,12H,2-7H2,1H3.
What are the key properties of N-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine?
N-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine has a molecular weight of 203.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclobutyl)methyl]-2-methylthiolan-3-amine is sourced from PubChem (CID 130626424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).