N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine

C10H14BrNS2 — CID 103902688

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
SMILESCC(NC1CCSC1)c1sccc1Br
InChIInChI=1S/C10H14BrNS2/c1-7(10-9(11)3-5-14-10)12-8-2-4-13-6-8/h3,5,7-8,12H,2,4,6H2,1H3
InChIKeyUOCDMODAQAZZEB-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.67
Rot. Bonds3

About N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine

N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine (PubChem CID 103902688) has the molecular formula C10H14BrNS2 and a molecular weight of 292.27 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
PubChem CID103902688
Molecular FormulaC10H14BrNS2
Molecular Weight292.27 g/mol
Exact Mass290.98
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
SMILESCC(NC1CCSC1)c1sccc1Br
InChIInChI=1S/C10H14BrNS2/c1-7(10-9(11)3-5-14-10)12-8-2-4-13-6-8/h3,5,7-8,12H,2,4,6H2,1H3
InChIKeyUOCDMODAQAZZEB-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584469
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine
CID 103082860
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788030
N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine
CID 115893699
N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine
CID 103783802
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
(3R)-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine
CID 125139910
(3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine
CID 125139908
N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63996638
tert-butyl N-[4-[1-(3-bromothiophen-2-yl)ethylamino]cyclohexyl]carbamate
CID 103785654
N-[1-(4-bromo-2-fluorophenyl)ethyl]thiolan-3-amine
CID 102613010
1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
CID 43791438

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine (CID 103902688) is N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine is CC(NC1CCSC1)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine?
The InChIKey is UOCDMODAQAZZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS2/c1-7(10-9(11)3-5-14-10)12-8-2-4-13-6-8/h3,5,7-8,12H,2,4,6H2,1H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine has a molecular weight of 292.27 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 103902688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).