(2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine

C9H17NS — CID 66612967

IUPAC(2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine
SMILESCC[C@@H](C)NCC1C=CSC1
InChIInChI=1S/C9H17NS/c1-3-8(2)10-6-9-4-5-11-7-9/h4-5,8-10H,3,6-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyFCNRRQUMUVZVPD-VEDVMXKPSA-N
MW171.31 g/mol
LogP2.25
Rot. Bonds4

About (2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine

(2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine (PubChem CID 66612967) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine
PubChem CID66612967
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name(2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine
SMILESCC[C@@H](C)NCC1C=CSC1
InChIInChI=1S/C9H17NS/c1-3-8(2)10-6-9-4-5-11-7-9/h4-5,8-10H,3,6-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyFCNRRQUMUVZVPD-VEDVMXKPSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine?
The IUPAC name of (2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine (CID 66612967) is (2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine.
What is the SMILES notation for (2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine?
The canonical SMILES for (2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine is CC[C@@H](C)NCC1C=CSC1.
What is the InChIKey of (2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine?
The InChIKey is FCNRRQUMUVZVPD-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-8(2)10-6-9-4-5-11-7-9/h4-5,8-10H,3,6-7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine?
(2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine has a molecular weight of 171.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 66612967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).