N-(2-thiophen-2-ylpropyl)thiolan-3-amine

C11H17NS2 — CID 115722114

IUPACN-(2-thiophen-2-ylpropyl)thiolan-3-amine
SMILESCC(CNC1CCSC1)c1cccs1
InChIInChI=1S/C11H17NS2/c1-9(11-3-2-5-14-11)7-12-10-4-6-13-8-10/h2-3,5,9-10,12H,4,6-8H2,1H3
InChIKeyLXVAPYHXCMDCCK-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.95
Rot. Bonds4

About N-(2-thiophen-2-ylpropyl)thiolan-3-amine

N-(2-thiophen-2-ylpropyl)thiolan-3-amine (PubChem CID 115722114) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-(2-thiophen-2-ylpropyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylpropyl)thiolan-3-amine
PubChem CID115722114
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC NameN-(2-thiophen-2-ylpropyl)thiolan-3-amine
SMILESCC(CNC1CCSC1)c1cccs1
InChIInChI=1S/C11H17NS2/c1-9(11-3-2-5-14-11)7-12-10-4-6-13-8-10/h2-3,5,9-10,12H,4,6-8H2,1H3
InChIKeyLXVAPYHXCMDCCK-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-N-(2-thiophen-2-ylpropyl)piperidin-4-amine
CID 75428213
N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine
CID 103930732
N-(1-cyclopentylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722143
N-(2-phenylsulfanylpropyl)thiolan-3-amine
CID 115724831
N-(2-phenoxypropyl)thiolan-3-amine
CID 115889988
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
N-(dithiophen-2-ylmethyl)thian-4-amine
CID 115641775
trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine
CID 129424855
N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722150
N-(2-piperidin-1-ylpropyl)thiolan-3-amine
CID 61011012
(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol
CID 97321907
N-(2-ethoxypropyl)thiolan-3-amine
CID 115724223

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylpropyl)thiolan-3-amine?
The IUPAC name of N-(2-thiophen-2-ylpropyl)thiolan-3-amine (CID 115722114) is N-(2-thiophen-2-ylpropyl)thiolan-3-amine.
What is the SMILES notation for N-(2-thiophen-2-ylpropyl)thiolan-3-amine?
The canonical SMILES for N-(2-thiophen-2-ylpropyl)thiolan-3-amine is CC(CNC1CCSC1)c1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylpropyl)thiolan-3-amine?
The InChIKey is LXVAPYHXCMDCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-9(11-3-2-5-14-11)7-12-10-4-6-13-8-10/h2-3,5,9-10,12H,4,6-8H2,1H3.
What are the key properties of N-(2-thiophen-2-ylpropyl)thiolan-3-amine?
N-(2-thiophen-2-ylpropyl)thiolan-3-amine has a molecular weight of 227.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylpropyl)thiolan-3-amine is sourced from PubChem (CID 115722114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).