N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine

C11H23NS — CID 80726960

IUPACN-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCC1(C)CCCS1
InChIInChI=1S/C11H23NS/c1-4-10(5-2)12-9-11(3)7-6-8-13-11/h10,12H,4-9H2,1-3H3
InChIKeyUTGUWZCCEFHCST-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.05
Rot. Bonds5

About N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine

N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine (PubChem CID 80726960) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
PubChem CID80726960
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCC1(C)CCCS1
InChIInChI=1S/C11H23NS/c1-4-10(5-2)12-9-11(3)7-6-8-13-11/h10,12H,4-9H2,1-3H3
InChIKeyUTGUWZCCEFHCST-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine
CID 80722889
2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80721632
N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine
CID 80527869
1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725460
N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80528101
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 80722107
2-[(2-methylthiolan-2-yl)methylamino]hexanoic acid
CID 103259903
N-[(2-methylthiolan-2-yl)methyl]-1-phenylethanamine
CID 80527826
N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80527849
1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
CID 115728210
N-[(2-methylthiolan-2-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 80726715
N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide
CID 115728225

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine (CID 80726960) is N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine is CCC(CC)NCC1(C)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine?
The InChIKey is UTGUWZCCEFHCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-10(5-2)12-9-11(3)7-6-8-13-11/h10,12H,4-9H2,1-3H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine?
N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine has a molecular weight of 201.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 80726960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).