(3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine

C15H23NS — CID 156602660

IUPAC(3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine
SMILESCC1CCC2(CC1)CC[C@@H]2NCc1cccs1
InChIInChI=1S/C15H23NS/c1-12-4-7-15(8-5-12)9-6-14(15)16-11-13-3-2-10-17-13/h2-3,10,12,14,16H,4-9,11H2,1H3/t12?,14-,15?/m0/s1
InChIKeyIWANRQPFCKFKLS-BLZCZZARSA-N
MW249.42 g/mol
LogP4.20
Rot. Bonds3

About (3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine

(3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine (PubChem CID 156602660) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is (3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine.

Molecular Properties

Compound Name(3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine
PubChem CID156602660
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name(3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine
SMILESCC1CCC2(CC1)CC[C@@H]2NCc1cccs1
InChIInChI=1S/C15H23NS/c1-12-4-7-15(8-5-12)9-6-14(15)16-11-13-3-2-10-17-13/h2-3,10,12,14,16H,4-9,11H2,1H3/t12?,14-,15?/m0/s1
InChIKeyIWANRQPFCKFKLS-BLZCZZARSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine?
The IUPAC name of (3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine (CID 156602660) is (3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine.
What is the SMILES notation for (3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine?
The canonical SMILES for (3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine is CC1CCC2(CC1)CC[C@@H]2NCc1cccs1.
What is the InChIKey of (3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine?
The InChIKey is IWANRQPFCKFKLS-BLZCZZARSA-N. The full InChI is InChI=1S/C15H23NS/c1-12-4-7-15(8-5-12)9-6-14(15)16-11-13-3-2-10-17-13/h2-3,10,12,14,16H,4-9,11H2,1H3/t12?,14-,15?/m0/s1.
What are the key properties of (3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine?
(3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine has a molecular weight of 249.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine is sourced from PubChem (CID 156602660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).